Journal of Raman Spectroscopy

Cover image for Vol. 42 Issue 4

April 2011

Volume 42, Issue 4

Pages 563–884

  1. Research Articles

    1. Top of page
    2. Research Articles
    3. Short Communications
    1. Femtosecond stimulated Raman spectroscopy modeled with a delta probe pulse: application to rhodamine 6G (pages 563–575)

      Xueqiong Qiu, Xiuting Li, Kai Niu and Soo-Y. Lee

      Article first published online: 26 SEP 2010 | DOI: 10.1002/jrs.2783

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      The third-order polarization for femtosecond stimulated Raman spectorscopy (FSRS) with a delta probe pulse is given by a three-time correlation function. Analytic expressions are derived for multimode harmonic potentials. The effects of Raman pump pulse duration, vibrational dephasing time, and homogeneous and inhomogeneous damping constants on the FSRS Stokes spectrum are studied. The theory can explain recent experiments on resonance FSRS of rhodamine 6G (R6G).

    2. Raman microspectroscopic evidence that dry-fixing preserves the temporal pattern of non-specific differentiation in live human embryonic stem cells (pages 576–579)

      Stanislav O. Konorov, H. Georg Schulze, Nicolas J. Caron, James M. Piret, Michael W. Blades and Robin F. B. Turner

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2769

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      Raman microspectroscopy allows the classification of populations of human embryonic stem cells in different stages of differentiation based on the relative intensities of certain amino acid and nucleic acid bands. Prolonged observations of dry-fixed cells can yield high signal-to-noise chemical images that reveal spatially resolved inhomo-geneities in differentiating cells. Such images can not be obtained from colonies of living cells where the time scale of significant biological changes are comparable to the time-scale of the measurement.

    3. Background removal from polarized Raman spectra of tooth enamel using the wavelet transform (pages 580–585)

      Jianghua Li, Lin-P'ing Choo-Smith, Zhilie Tang and Michael G. Sowa

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2761

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      A wavelet transformation method is used to remove the large fluorescence background from polarized Raman spectra of stained tooth enamel. The results show that the wavelet transform technique could extract the pure spectra from background and noise, with the Raman depolarization ratio used to discriminate early dental caries and sound enamel preserved.

    4. Visualization of β-carotene and starch granules in plant cells using CARS and SHG microscopy (pages 586–592)

      Christian Brackmann, Anton Bengtsson, Marie Larsson Alminger, Ulf Svanberg and Annika Enejder

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2778

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      Non-linear microscopy is introduced for three-dimensional, label-free imaging of provitamin-A-carotenoids and starch granules in plant tissues. Carotenoids in orange-fleshed sweet potato (OFSP), carrot and mango were visualized by CARS microscopy and related to the plant-matrix morphology by simultaneous SHG microscopy of starch granules. While OFSP and carrot showed rod-shaped bodies with high carotenoid densities, the carotenoid-filled lipid droplets in mango appeared as low-density aggregates of rounded shape. Thermal processing of OFSP showed intact carotenoid bodies despite significant changes of the surrounding starch granules. This illustrates the value of non-linear microscopy also within the plant biology and food sciences.

    5. Evaluation of crystalline perfection degree of multi-walled carbon nanotubes: correlations between thermal kinetic analysis and micro-Raman spectroscopy (pages 593–602)

      S. Santangelo, G. Messina, G. Faggio, M. Lanza and C. Milone

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2766

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      Aiming to establish a standardised post-growth diagnostic protocol for the assessment of the crystalline perfection degree of MWCNTs, clear correlations are evidenced between the Raman graphitisation indexes (D/G, G′/G and G′/D intensity ratios) and the MWCNT reactivity towards oxygen, as measured by the apparent activation energy needed for their oxidation, inferred from the kinetic analysis in quasi-isothermal conditions.

    6. Identification of chemical modification in single human keratinocyte cells exposed to low doses of chlorpyriphos by Raman micro-spectroscopy (pages 603–611)

      G. Perna, M. Lasalvia, P. D'Antonio, N. L'Abbate and V. Capozzi

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2767

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      The efficiency of Raman micro-spectroscopy to detect biochemical modification induced by exposure to non-cytotoxic doses of chlorpyriphos was assessed. Such modification affects mainly the proteineous component (both single amino acids and amide linkages between amino acids) of nucleus, cellular membranes and cytoplasm as well as nucleic acid component of the nucleus. Strong damage to lipid component occurs after exposure at nearly cytotoxic concentration.

    7. Raman and SERS study on cimetidine–metal complexes with biomedical interest (pages 612–620)

      Sergio Bonora, Michele Di Foggia, Vitaliano Tugnoli, Valeria Righi, Enrico Benassi and Assimo Maris

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2775

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      Raman spectra of the solid cimetidine (cim) 2:1 metal complexes with Co(II), Cu(II), Ni(II) and Zn(II) were studied, which showed the existence of two different structures. The study was extended in the very dilute solutions by using the SERS technique, which suggested that, upon the binding to silver colloids, the formation of 1:1 cim-metal adduct was preferred for any metal. Theoretical B3LYP calculation on cim bonded to an Ag2 metal cluster in presence of water was performed.

    8. Simple method to prepare size-controllable gold nanoparticles in solutions and their applications on surface-enhanced Raman scattering (pages 621–625)

      Chung-Chin Yu, Yu-Chuan Liu, Kuang-Hsuan Yang and Hui-Yen Tsai

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2764

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      These SERS spectra exhibit two competitive effects. One is the fluorescence from R6G dissolved in the aqueous solution. The other is SERS from R6G adsorbed on Au NPs, where SERS becomes more dominant for R6G adsorbed on larger NPs.

    9. A Raman spectroscopic study of the igneous rocks on Marion Island: a possible terrestrial analogue for the geology on Mars (pages 626–632)

      Linda C. Prinsloo, Philippe Colomban, Johan D. Brink and Ian Meiklejohn

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2756

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      The igneous rock formations on Marion Island, consisting of older grey lava, black lava and red scoriae cones, were studied with Raman spectroscopy, as possible model substances for the geology on Mars.

    10. UV resonance Raman study of cation–π interactions in an indole crown ether (pages 633–638)

      Diana E. Schlamadinger, Megan M. Daschbach, George W. Gokel and Judy E. Kim

      Article first published online: 26 SEP 2010 | DOI: 10.1002/jrs.2781

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      UV resonance Raman spectroscopy is used to probe changes in vibrational structure associated with cation–π interactions for the most prevalent amino acid π-donor, namely tryptophan. The model compound studied here is a crown ether with two indole substituents. Shifts in relative intensity in the delocalized ring-breathing W18 and hydrogen out-of-plane (HOOP) vibrational modes near 760–780 cm−1 are observed upon formation of a cation–pyrrolo π interaction.

    11. Correlation between the piezoelectric properties and the structure of lead-free KNN-modified ceramics, studied by Raman Spectroscopy (pages 639–643)

      F. Rubio-Marcos, M. A. Bañares, J. J. Romero and J. F. Fernandez

      Article first published online: 20 JUL 2010 | DOI: 10.1002/jrs.2753

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      The correlation between XRD and Raman spectroscopy provides a powerful tool in the interpretation of Raman spectra of distorted crystalline lattice KNN modified ceramics, with perovskite structure. Thus the Raman spectroscopy could in situ monitor changes of the effective displacement, Δzeff, and piezoelectric properties in piezoceramics by a simple methodology.

    12. New insights on surface-enhanced Raman scattering based on controlled aggregation and spectroscopic studies, DFT calculations and symmetry analysis for 3,6-bi-2-pyridyl-1,2,4,5-tetrazine adsorbed onto citrate-stabilized gold nanoparticles (pages 644–652)

      Vitor H. S. de Melo, Vitor M. Zamarion, Koiti Araki and Henrique E. Toma

      Article first published online: 7 JUL 2010 | DOI: 10.1002/jrs.2741

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      Surface-enhanced Raman scattering for 3,6-bi-2-pyridyl-1,2,4,5-tetrazine (bptz) adsorbed onto citrate-modified gold nanoparticles (cit-AuNps) depends on the aggregation procedures, and are consistent with the predominant contribution of the electromagnetic and the charge-transfer mechanisms, the latter involving significant contribution of vibronic coupling in the bptz molecule.

    13. Identification of reddish pigments in octocorals by Raman spectroscopy (pages 653–658)

      Lenize F. Maia, Beatriz G. Fleury, Bruno G. Lages, Jussara P. Barbosa, Ângelo C. Pinto, Harlem V. Castro, Vanessa E. de Oliveira, Howell G. M. Edwards and Luiz F. C. de Oliveira

      Article first published online: 27 JUL 2010 | DOI: 10.1002/jrs.2758

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      In this work, Raman spectroscopy was used for the identification of conjugate polyenes (parrodienes) present in the skeleton of octocorals. Characteristics bands at ca 1500 and 1130 cm−1 of ν1(C[DOUBLE BOND]C) and ν2 (C[BOND]C), respectively, were observed for different corals of the Brazil coast. This observation implies that the Raman technique can be a powerful tool for identifying such compounds without the need for extraction/manipulation of the material.

    14. Single-crystal Raman spectroscopy of natural leiteite (ZnAs2O4) and comparison with the synthesised mineral (pages 659–666)

      Silmarilly Bahfenne, Llew Rintoul and Ray L. Frost

      Article first published online: 20 JUL 2010 | DOI: 10.1002/jrs.2751

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      The oriented single-crystal Raman spectrum of leiteite has been obtained and the spectra related to the mineral structure. The intensities of the observed bands vary according to orientation, allowing them to be assigned to either Ag or Bg modes.

    15. Hydrogen bonding in different pyrimidine–methanol clusters probed by polarized Raman spectroscopy and DFT calculations (pages 667–675)

      Dheeraj K. Singh, Shivangi Mishra, Animesh K. Ojha, Sunil K. Srivastava, S. Schlücker, B. P. Asthana, J. Popp and Ranjan K. Singh

      Article first published online: 2 AUG 2010 | DOI: 10.1002/jrs.2744

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      Vibrational spectroscopic analysis on hydrogen bonding between pyrimidine (Pd) with methanol (M) comprises both experimental Raman spectra and density functional theory (DFT) calculations on structures and vibrational spectra of various Pd/M complexes with varying solvent content. Polarized Raman spectra in the region 970–1020 cm−1 for binary mixtures of (Pd + M) at 28 different mole fractions were recorded. The results of DFT calculations on structures and vibrational spectra of neat Pd and eight Pd/M complexes were used for interpreting the experimental results. Finally, a spectra–structure correlation for different cluster subgroups was obtained.

    16. Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L-tartrate: a density functional theoretical approach (pages 676–684)

      S. Vidya, C. Ravikumar, I. Hubert Joe, P. Kumaradhas, B. Devipriya and K. Raju

      Article first published online: 12 JUL 2010 | DOI: 10.1002/jrs.2743

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      FT-Raman and IR spectra were used to investigate the ammonium tartrate crystal. The vibrational analysis explains the NLO activity and the charge transfer interactions of the molecule supported by density functional theory calculations. Natural bond orbital analysis clearly explains the various inter- and intramolecular interactions that are responsible for the stabilization of this molecule.

    17. Wavelength-dependent amplitude of Teflon Raman lines (pages 685–690)

      C. K. Manka, S. Nikitin, R. Lunsford, P. Kunapareddy and J. Grun

      Article first published online: 6 SEP 2010 | DOI: 10.1002/jrs.2752

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      We present the results of a study of Teflon Raman line ratios obtained from closely spaced excitation wavelengths in the deep ultraviolet from 210 to 320 nm. The 731 cm−1 line is identified as well suited for a standard. Electronic transition energies associated with resonance of principal Teflon Raman lines are obtained.

    18. Raman spectroscopic study of the uranyl titanate mineral brannerite (U,Ca,Y,Ce)2(Ti,Fe)2O6:effect of metamictisation (pages 691–695)

      Ray L. Frost and B. Jagannadha Reddy

      Article first published online: 13 JUL 2010 | DOI: 10.1002/jrs.2747

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      Raman spectra of the uranyl titanate mineral brannerite were analysed and related to the mineral structure. The mineral brannerite is a metamict, as evidenced by the intensity of the UO stretching and bending modes being of lower intensity than expected and with bands that are significantly broader.

    19. Micro-conformational transitions in L-alanine single crystals revisited by low wavenumber Raman spectroscopy (pages 696–705)

      Boris A. Kolesov and Elena V. Boldyreva

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2768

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      The analysis of the wavenumber, bandwidth and Raman intensity of all the modes polarized along the c-axis in L-alanine single crystals in the range 100–600 cm−1 leads to the conclusion that a temperature instability of intermolecular interactions exists and that the micro-conformational transitions accompanied by the rearrangement of the hydrogen-bond network might be occurring at multiple temperatures between 3 and 300 K.

    20. Raman scattering study of the soft mode in Pb(Mg1/3Nb2/3)O3 (pages 706–714)

      Hiroki Taniguchi, Mitsuru Itoh and Desheng Fu

      Article first published online: 20 JUL 2010 | DOI: 10.1002/jrs.2746

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      A low-energy lattice dynamics in a typical relaxor ferroelectric material Pb(Mg1/3Nb2/3)O3 (PMN) is investigated by Raman scattering spectroscopy. A rigorous optimization of Raman scattering configuration enables to detect a soft mode spectrum in PMN. Relaxor phenomenon is found to be triggered by the softening of the soft mode in an inhomogeneous system.

    21. Structural changes in BK7 glass upon exposure to femtosecond laser pulses (pages 715–718)

      Douglas J. Little, Martin Ams, Simon Gross, Peter Dekker, Christopher T. Miese, Alex Fuerbach and Michael J. Withford

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2770

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      Waveguides were fabricated in BK7 glass using femtosecond laser pulses and subsequently investigated using Raman microscopy. It was determined that for waveguides written at a 1 kHz pulse repetition rate, refractive index change correlated with the formation of B-O groups, whereas for waveguides written at a 5.1 MHz repetition rate, refractive index change correlated with changes in density of the glass. The mechanism behind these structural changes and the implications on device fabrication are discussed.

    22. DFT and MP2 based quantum mechanical calculations and a theoretical vibrational spectroscopic investigation on roscovitine, a potential drug to treat cancers (pages 719–732)

      K. Balci, Y. Akkaya, S. Akyuz and N. Palavan-Unsal

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2774

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      The possible stable conformers of free roscovitine molecule were investigated by means of quantum mechanical calculations carried out by using the DFT-B3LYP and MP2 methods. A successful assignment of the fundamental bands observed in the room-temperature experimental IR and Raman spectra recorded for roscovitine in solid phase and for its ethanol solution is given on the basis of the improved theoretical vibrational spectral data obtained for the determined two most stable conformers of the molecule.

    23. Revisited vibrational assignments of imidazolium-based ionic liquids (pages 733–743)

      Joseph Grondin, Jean-Claude Lassègues, Dominique Cavagnat, Thierry Buffeteau, Patrik Johansson and Roman Holomb

      Article first published online: 2 AUG 2010 | DOI: 10.1002/jrs.2754

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      Vibrational assignments are given between 3200 and 40 cm−1 of ionic liquids involving imidazolium cations and anions of variable coordinating strength, with particular emphasis on the nature of the C[BOND]H···anion interactions.

    24. Using Raman spectroscopy to monitor surface finish and roughness of components manufactured by selective laser sintering (pages 744–748)

      M. A. Beard, O. R. Ghita and K. E. Evans

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2771

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      Raman spectroscopy intensity effects, caused by the surface roughness of the components under investigation, have been used to monitor particle sintering of selective laser sintered components. It has been shown that Raman spectroscopy could be used as process monitoring tool for quality assurance checks for SLS parts.

    25. Short-time photodecay dynamics of meso-tetra(p-hydroxyphenyl)porphine in the condensed phase explored via resonance Raman spectroscopy and density functional theory calculation (pages 749–757)

      Zhangzhu Wu, Jun Xu, Junmin Wan, Xuming Zheng, Huigang Wang and Yao Tan

      Article first published online: 28 SEP 2010 | DOI: 10.1002/jrs.2772

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      This paper describes the By [RIGHTWARDS ARROW] Bx relaxation dynamics of THPP and the time-dependent wave packet theory interpretation of the short-time dynamics of Raman scattering.

    26. Vibrational spectra of rhombohedral TeO3 compared to those of ReO3-like proto-phase and α-TeO2 (paratellurite): lattice dynamic and crystal chemistry aspects (pages 758–764)

      Julie Cornette, Thérèse Merle-Méjean, Andreï Mirgorodsky, Maggy Colas, Mikhaël Smirnov, Olivier Masson and Philippe Thomas

      Article first published online: 21 SEP 2010 | DOI: 10.1002/jrs.2757

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      Vibrational spectra of rhombohedral TeO3 (r-TeO3) are analyzed along with those of ReO3-like proto-phase (c-TeO3) and α-TeO2 (paratellurite) by laying emphasis on their lattice dynamic and crystal chemistry aspects.

    27. Structural study of Mg-bearing sodosilicate glasses by Raman spectroscopy (pages 765–772)

      Nicolas Trcera, Stéphanie Rossano and Martine Tarrida

      Article first published online: 20 JUL 2010 | DOI: 10.1002/jrs.2763

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      This article deals with a Raman spectroscopic study of the network connectivity of glasses in the Na2O[BOND]MgO[BOND]SiO2 system. For a constant polymerization degree, variations in composition suggest the existence of various Qn units according to the nature of the modifying cation. For a constant Na/Mg ratio, variations in polymerization imply a modification of the Raman spectra. In particular, the changes observed in the Si[BOND]O stretching vibration region suggest that magnesium charge-balances preferentially Q2 species rather than Q3 species.

    28. A methodology for Raman structural quantification imaging and its application to iron indoor atmospheric corrosion products (pages 773–781)

      Judith Monnier, Ludovic Bellot-Gurlet, Denis Baron, Delphine Neff, Ivan Guillot and Philippe Dillmann

      Article first published online: 27 SEP 2010 | DOI: 10.1002/jrs.2765

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      Using the spectra decomposition by linear combination of reference spectra, we propose to extract quantitative parameters from Raman hyperspectral maps in the case of solid-state samples. This approach is applied to ancient corroded iron samples coming from the Amiens cathedral (France) to establish the description and the composition of the corrosion system through quantitative phase mapping. The global phase quantities proposed will supply data for calculating some ‘protectivity ratio’ which could document the system stability.

    29. Polarized IR and Raman spectra, temperature dependence of phonons and lattice dynamic calculations for M′2M″Ge2O7 pyrogermanates (M′ = Sr, Ba; M″ = Mg, Zn) (pages 782–789)

      J. Hanuza, M. Ma̧czka, M. Ptak, J. Lorenc, K. Hermanowicz, P. Becker, L. Bohatý and A. A. Kaminskii

      Article first published online: 2 AUG 2010 | DOI: 10.1002/jrs.2755

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      Raman and IR spectra of M′2M″Ge2O7 pyrogermanates are discussed on the basis of the factor group approach for the tetragonal equation image space group. The assignment of the observed bands to the respective internal and lattice modes is proposed on the basis of dynamical calculations.

    30. Testing of Raman spectroscopy as a non-invasive tool for the investigation of glass-protected pastels (pages 790–798)

      Maria Cristina Caggiani and Philippe Colomban

      Article first published online: 7 JUL 2010 | DOI: 10.1002/jrs.2740

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      Raman spectroscopy is used to investigate six French pastels dating from the 17th to the 20th century experimenting different operative conditions and parameters, in order to assess the optimal procedure of analysis for this fragile kind of work of art through their protective glass. The results obtained for the different pigments, the relative criteria of dating and the blackening process in one of the pastels are presented.

    31. Temperature-induced phase transformations in Na2WO4 and Na2MoO4 crystals (pages 799–802)

      C. Luz Lima, G. D. Saraiva, P. T. C. Freire, M. Maczka, W. Paraguassu, F. F. de Sousa and J. Mendes Filho

      Article first published online: 21 JUL 2010 | DOI: 10.1002/jrs.2759

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      High-temperature Raman scattering studies on Na2WO4 and Na2MoO4 crystals are reported. These studies have revealed drastic changes in the high-temperature Raman spectra of the Na2WO4 and Na2MoO4 systems, which indicate the onset of first-order phase transitions. Raman spectra of Na2WO4 show splitting of several modes, thus indicating temperature-induced phase transitions characterized by lowering of symmetry. Temperature-dependent Raman studies are also reported on Na2MoO4 in order to compare the structural changes that occur in this material with those observed for Na2WO4.

    32. Raman spectroscopic study of medieval Indian art of 17th century (pages 803–807)

      T. R. Ravindran, A. K. Arora, S. Ramya, R. V. Subba Rao and Baldev Raj

      Article first published online: 6 SEP 2010 | DOI: 10.1002/jrs.2776

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      The first Raman spectroscopic investigations of three medieval Indian miniature paintings of the 17th century were carried out non-destructively in the laboratory. Several mineral-based pigments such as massicot, red-lead, lead-white, vermilion, litharge and orpiment were found to be present. In addition, evidences for carbon black and Indian yellow were also found. Massicot had been used in all the paintings.

    33. Damage and molecular changes under a laser beam in SEM-EDX/MRS interface: a case study on iron-rich particles (pages 808–814)

      A. Worobiec, L. Darchuk, A. Brooker, H. Potgieter and R. Van Grieken

      Article first published online: 26 SEP 2010 | DOI: 10.1002/jrs.2789

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      One of the main aspects that needs be taken into account during the analysis of individual particles by combined SEM-EDX/MRS is particle damage and any subsequent molecular changes that might occur under a laser beam. A test study was performed using artificial examples of haematite (Fe2O3) particles. Exposure of Fe2O3 particles in vacuum to 514 and 785 nm lasers often led to their melting, transformation and evaporation. Molecular and crystallographic changes have also been observed.

    34. Structural and nonlinear optical properties of cross-conjugated system benzophenone thiosemicarbazone: a vibrational spectroscopic study (pages 815–824)

      C. Ravikumar and I. Hubert Joe

      Article first published online: 26 SEP 2010 | DOI: 10.1002/jrs.2788

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      FT-Raman and IR spectra were used to investigate the nonlinear optical material benzophenone thiosemicarbazone. The vibrational analysis explains the NLO activity and the charge transfer interactions of the molecule supported by using the scaled quantum mechanical force field technique based on density functional theory calculations. The second-harmonic generation efficiency of the microcrystalline powders of the molecule was examined.

    35. A Raman spectroscopic study of M2+M3+ sulfate minerals, römerite Fe2+Fe23+ (SO4)4· 14H2O and botryogen Mg2+Fe3+ (SO4)2(OH)·7H2O (pages 825–830)

      Ray L. Frost, Sara J. Palmer, Jiří Čejka, Jiří Sejkora, Jakub Plášil, Ivana Jebavá and Eloise C. Keeffe

      Article first published online: 26 SEP 2010 | DOI: 10.1002/jrs.2782

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      The mixed valency (M2+M3+) sulfate minerals, römerite Fe2+Fe23+ (SO4)4· 14H2O and botryogen Mg2+Fe3+ (SO4)2(OH) 7H2O have been studied by Raman spectroscopy. The number of Raman bands related to the (SO4)2− symmetric and antisymmetric vibrations support the X-ray single crystal structure conclusion that two symmetrically distinct S6+ are present in the structure of these minerals.

    36. Raman study of pure, C-coated and Co-doped LiFePO4: thermal effect and phase stability upon laser heating (pages 831–838)

      Ying Bai, Yanfeng Yin, Jueming Yang, Chunbo Qing and Weifeng Zhang

      Article first published online: 31 MAR 2011 | DOI: 10.1002/jrs.2947

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      Thermal effect and phase stability of pure, C-coated and Co-doped LiFePO4 were systematically studied as a function of irradiation power density by means of Raman spectroscopy. The correlations between the power density of the excitation laser and the surface structure were accurately established and compared.

    37. Raman identification of strongly absorbing phases: the ceramic black pigments (pages 839–843)

      Maria Cristina Caggiani and Philippe Colomban

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2777

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      The problems encountered in the analysis of dark to black ceramic pigments are discussed. Advantages of high-sensitivity low-cost instruments versus more expensive ones are pointed out. The importance of excitation power control is emphasised.

    38. Surface-enhanced Raman spectroscopy of DNA from leaves of in vitro grown apple plants (pages 844–850)

      Cristina M. Muntean, Nicolae Leopold, Adela Halmagyi and Sergiu Valimareanu

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2780

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      Eight genomic DNAs from leaves of in vitro grown apple plants have been analyzed using surface-enhanced Raman spectroscopy. SERS signatures, spectroscopic band assignments and structural interpretations of these genomic DNAs are reported.

    39. Self-association and hydrogen bonding of propionaldehyde in binary mixtures with water and methanol investigated by concentration-dependent polarized Raman study and DFT calculations (pages 851–858)

      Dheeraj K. Singh, Sunil K. Srivastava, S. Schlücker, Ranjan K. Singh and B. P. Asthana

      Article first published online: 28 AUG 2010 | DOI: 10.1002/jrs.2779

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      The Raman spectra of neat propionaldehyde (propanal) and its binary mixtures with the hydrogen-donor solvents water and methanol with different mole fractions of propanal were recorded in the ν(C[DOUBLE BOND] O) stretching region 1600–1800 cm−1. Raman peaks corresponding to self-associated and hydrogen-bonded species were identified and the peak at ∼1721 cm−1 was attributed to the self-associated species, which was confirmed further by measuring the Raman spectra of propanal in a nonpolar solvent, n-heptane, at high dilution (C = 0.05), whereupon the intensity of this band diminished considerably.

    40. Vibrational dynamics and structural investigation of 4-benzoylpyridine (pages 859–869)

      Pinaky Sett, Shirsendu Datta and Prabal Kumar Mallick

      Article first published online: 21 SEP 2010 | DOI: 10.1002/jrs.2787

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      Vibrational and electronic spectra of 4-benzoylpyridine molecule were critically explored and Raman excitation profile studies of several normal modes of vibration carried out to get insights into the structural and symmetry properties of the molecule in the ground and excited electronic states. Possibility of exciton splitting of 1La band has been found. All the experimental observations are substantiated and corroborated with the necessary quantum chemical calculations.

    41. Vibrational spectroscopy and density functional theory calculations of poly-D-mannuronate and heteropolymeric fractions from sodium alginate (pages 870–878)

      G. Cardenas-Jiron, D. Leal, B. Matsuhiro and I. O. Osorio-Roman

      Article first published online: 2 AUG 2010 | DOI: 10.1002/jrs.2760

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      Polymannuronate and heteropolymeric fractions from sodium alginate were analyzed by IR, Raman and SERS techniques. Assignments of the vibrational modes were performed using the calculated spectra of the model mannuronate and mannuronate-guluronate tetrasaccharides.

  2. Short Communications

    1. Top of page
    2. Research Articles
    3. Short Communications
    1. Surface-enhanced Raman spectroscopy in living plant using triplex Au[BOND]Ag[BOND]C core–shell nanoparticles (pages 879–884)

      Aiguo Shen, Jingzhe Guo, Wei Xie, Mengxiang Sun, Ryan Richards and Jiming Hu

      Article first published online: 6 OCT 2010 | DOI: 10.1002/jrs.2812

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      A novel carbon-encapsulated SERS tag was injected into the leaf of Nicotiana benthamiana, and in vivo SERS mapping was performed to monitor its distribution inside the leaf, successfully avoiding interference of plant tissue autofluorescence.

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