Journal of Raman Spectroscopy

Cover image for Vol. 41 Issue 7

July 2010

Volume 41, Issue 7

Pages 719–838

  1. Rapid Communications

    1. Top of page
    2. Rapid Communications
    3. Research Articles
    1. Experimental and theoretical evidence for the chemical mechanism in SERRS of rhodamine 6G adsorbed on colloidal silver excited at 1064 nm (pages 719–720)

      Bin Dong, Liwei Liu, Hongxing Xu and Mengtao Sun

      Version of Record online: 3 FEB 2010 | DOI: 10.1002/jrs.2605

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      The evidence for the existence of chemical mechanism in SERRS of rhodamine 6G (R6G) adsorbed on colloidal silver excited at 1064 nm is reported on the basis of experimental and theoretical analyses. A weak absorption peak at around 1060 nm for R6G-functionalized silver nanoparticles was observed, which was not present in the individual spectra of R6G or silver nanoparticles. Theoretically, charge difference density reveals that this weak absorption is metal-to-molecule charge transfer excited state.

  2. Research Articles

    1. Top of page
    2. Rapid Communications
    3. Research Articles
    1. Improved surface-enhanced Raman scattering properties of TiO2 nanoparticles by Zn dopant (pages 721–726)

      Libin Yang, Yu Zhang, Weidong Ruan, Bing Zhao, Weiqing Xu and John R. Lombardi

      Version of Record online: 19 OCT 2009 | DOI: 10.1002/jrs.2511

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      Pure and Zn-doped TiO2 nanoparticles were prepared and employed as active substrates for surface-enhanced Raman scattering (SERS). On the 3% Zn-TiO2, 4-mercaptobenzoic acid molecules exhibit a higher SERS intensity by a factor of 6, as compared with the native enhancement of 4-MBA on undoped TiO2. Moreover, the higher SERS activity was still observed on the 3% Zn-TiO2 at temperatures even up to 125°C. The introduction of Zn dopant can enrich the surface states (defects) of TiO2 and improve the separation efficiency of photo-generated charge carriers in TiO2, which are responsible for the influences of Zn dopant on the improved SERS performances of TiO2.

    2. Survival of molecular information under surfaced-enhanced resonance Raman (SERRS) conditions (pages 727–738)

      K. D. Jernshøj and S. Hassing

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/jrs.2521

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      When a molecule is physisorbed in an anisotropic hot spot (HS), only the symmetric component of the molecular scattering tensor contributes to the scattering. This has far-reaching consequences for the use of this type of enhancement in resonance Raman scattering and surface-enhanced Raman dispersion spectroscopy (SERADIS), as the molecular information is excluded in advance. The consequences have been demonstrated by examining the phenomenon antiresonance in pre-resonance Raman scattering and resonance RADIS of porphyrins.

    3. Surface-enhanced Raman spectroscopy coupled with dendritic silver nanosubstrate for detection of restricted antibiotics (pages 739–744)

      Lili He, Mengshi Lin, Hao Li and Nam-Jung Kim

      Version of Record online: 19 OCT 2009 | DOI: 10.1002/jrs.2505

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      Surface-enhanced Raman spectroscopy (SERS) coupled with dendritic silver nanosubstrates was used for rapid detection and characterization of restricted antibiotics including enrofloxacin, ciprofloxacin, and chloramphenicol. Dendritic silver nanosubstrates were prepared via a simple replacement reaction method and stored in deionized water for months. Results indicate that dendritic silver nanosubstrates show a satisfactory enhancement factor, as well as consistent and stable performance in SERS measurement for detecting and characterizing trace amounts of antibiotics.

    4. Surface-enhanced Raman scattering from polystyrene on gold clusters (pages 745–751)

      J. R. Anema, A. G. Brolo, A. Felten and C. Bittencourt

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/jrs.2504

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      SERS data was obtained from polystyrene samples prepared by vapor deposition of gold and plasma-induced polymerization of styrene gas. The relationships between sample preparation parameters, gold-cluster morphology, and SERS intensity were elucidated. For polystyrene, we assigned vibrations to all bands between 250 and 1750 cm-1, examined the orientation of its phenyl ring with respect to the gold surface, and looked at its degradation during SERS.

    5. Multiplexed concentration quantification using isotopic surface-enhanced resonance Raman scattering (pages 752–757)

      Pradeep N. Perera, Shirshendu K. Deb, V. Jo Davisson and Dor Ben-Amotz

      Version of Record online: 13 OCT 2009 | DOI: 10.1002/jrs.2513

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      Isotopic variants of rhodamine-6G with 0, 2, 4, or 6 deuterium substitutions are combined with surface-enhanced resonance Raman scattering (SERRS) to demonstrate the feasibility of multiplexed concentration measurements. In particular, one isotopic species of known concentration is used as an internal standard to determine the concentrations of up to two other isotopic components in a mixture, thus setting the stage for employing such SERRS tags to quantify mixtures containing biological and other compounds.

    6. Characterization of sodium alginate and its block fractions by surface-enhanced Raman spectroscopy (pages 758–763)

      Marcelo M. Campos-Vallette, Nancy P. Chandía, Ernesto Clavijo, David Leal, Betty Matsuhiro, Igor O. Osorio-Román and Simonet Torres

      Version of Record online: 23 OCT 2009 | DOI: 10.1002/jrs.2517

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      Surface-enhanced Raman spectroscopy (SERS) allows to differentiate fractions of sodium alginates by characteristic bands; poly-D-mannuronate shows the β glycosidic linkage vibration at 863 cm−1, poly-L-guluronate presents a band associated to α glycosidic linkage at 797 cm−1, and the heteropolymeric fraction presents an intense band at 730 cm−1.

    7. The effect of hydrogen bond on the vibrational dynamics of genistein free and complexed with β-cyclodextrins (pages 764–770)

      Vincenza Crupi, Domenico Majolino, Alessandro Paciaroni, Barbara Rossi, Rosanna Stancanelli, Valentina Venuti and Gabriele Viliani

      Version of Record online: 13 OCT 2009 | DOI: 10.1002/jrs.2515

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      Raman spectroscopy and numerical simulations have been used to investigate the host–guest interactions driving the complexation between genistein and native and substituted β-CDs, with particular regard to the role played by the guest chemical groups, as well as to disentangle the effects directly related to the complexation from those ascribed to the formation of intra- and intermolecular H-bonds.

    8. Detailed analysis of the charge transfer complex N,N-dimethylaniline–SO2 by Raman spectroscopy and density functional theory calculations (pages 771–775)

      Rômulo A. Ando, Deborah R. C. Matazo and Paulo S. Santos

      Version of Record online: 13 OCT 2009 | DOI: 10.1002/jrs.2514

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      The intermolecular charge transfer (CT) interaction between DMA and SO2 was investigated by Raman spectroscopy and DFT calculations. It was shown that the CT transition involves both the nitrogen n orbital and the aromatic π orbital of the electron donor moiety.

    9. Study of asymmetric wavenumber shift of the Fermi doublet ν1 − 2ν2 in the Raman spectrum of liquid carbon disulfide (pages 776–779)

      Dong-Fei Li, Xiu-Lan Jiang, Biao Cao, Zuo-Wei Li, Shu-Qin Gao, Mi Zhou, Zhi-Wei Men and Nai-Cui Zhai

      Version of Record online: 6 OCT 2009 | DOI: 10.1002/jrs.2510

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      We studied the asymmetric wavenumber shift of the Fermi doublet in carbon disulfide (CS2). In the presence of benzene, the position of the fundamental remains unchanged but the 2ν2 at 796 cm−1 shifts toward higher wavenumbers when the concentration of CS2 decreases, which is explained by the modified Bertran model. The fundamental ν2 should be independent of the Fermi resonance interaction but shifts to higher wavenumbers as the concentration decreases, which is probably driven by the tuning of the FR.

    10. On-site analysis of Chinese Cloisonné enamels from fifteenth to nineteenth centuries (pages 780–790)

      Burcu Kırmızı, Philippe Colomban and Béatrice Quette

      Version of Record online: 19 OCT 2009 | DOI: 10.1002/jrs.2516

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      A selection of 22 rare Chinese cloisonné enamels, from fifteenth to nineteenth century A.D., has been studied on-site in the storage rooms of musée des Arts décoratifs in Paris. Three types of composition as lead-potash-lime (fifteenth, sixteenth, eighteenth and nineteenth century), soda-rich (sixteenth–seventeenth century) and soda-lime (seventeenth century) are identified based on the Raman signature of the glaze. Fluorite as an opacifier and Naples yellow pigment variations give characteristic Raman signatures. A comparison is made with Limoges enamels (sixteenth–nineteenth century A.D.).

    11. Raman spectroscopy of gallium-based hydrotalcites of formula Mg6Ga2(CO3)(OH)16· 4H2O (pages 791–796)

      Ray L. Frost, Sara J. Palmer and Laure-Marie Grand

      Version of Record online: 19 OCT 2009 | DOI: 10.1002/jrs.2508

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      Insight into the unique structure of hydrotalcites has been obtained using Raman spectroscopy. Gallium-containing hydrotalcites of formula Mg4Ga2(CO3)(OH)12· 4H2O (2:1 Ga-HT) to Mg8Ga2(CO3)(OH)18· 4H2O (4:1 Ga-HT) have been successfully synthesized and characterized by Raman spectroscopy.

    12. Raman characterizations and structural properties of the binary TeO2[BOND]WO3, TeO2[BOND]CdF2 and ternary TeO2[BOND]CdF2[BOND]WO3 glasses (pages 797–807)

      D. Tatar, G. Özen, F. B. Erim and M. L. Öveçoǧlu

      Version of Record online: 11 NOV 2009 | DOI: 10.1002/jrs.2519

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      The Raman spectroscopy technique was carried out to characterize the microstructure and the crystallization properties of the as-cast and heat-treated binary TeO2-WO3, TeO2-CdF2 and ternary TeO2-CdF2-WO3 glasses and glass-ceramics. The results were compared with those obtained by using the X-ray diffraction technique. The effect of the WO3 and CdF2 contents on the TeO2 glass network and the intensity ratios of the deconvoluted Raman peaks were determined.

    13. Low-temperature Raman spectra of racemate DL-Alanine crystals (pages 808–813)

      J. A. Lima Jr., P. T. C. Freire, F. E. A. Melo, J. Mendes Filho, G. P. De Sousa, R. J. C. Lima, P. F. Façanha Filho and H. N. Bordallo

      Version of Record online: 12 OCT 2009 | DOI: 10.1002/jrs.2507

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      Raman spectra of DL-Alanine crystals were investigated in the 50-3200 cm-1 spectral region for temperatures ranging from 15 to 295 K. From this study we have observed changes in the wavenumber of modes associated with both the rocking of CO2- and the skeletal vibrations; however, no substantial modifications of the lattice modes of the crystal were observed. This result indicates slight changes of the CO2 group orientation without observation of a solid-solid phase transition in DL-Alanine crystal.

    14. Raman and infrared study of phyllosilicates containing heavy metals (Sb, Bi): bismutoferrite and chapmanite (pages 814–819)

      Ray L. Frost, Silmarilly Bahfenne, Jiří Čejka, Jiří Sejkora, Jakub Plášil and Sara J. Palmer

      Version of Record online: 12 OCT 2009 | DOI: 10.1002/jrs.2512

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      The kaolinite-like phyllosilicate minerals bismutoferrite BiFe3+2Si2O8(OH) and chapmanite SbFe3+2Si2O8(OH) have been studied by Raman spectroscopy and complemented with infrared spectroscopy. The antisymmetric and symmetric stretching vibrations of the Si-O-Si bridges, δ SiOSi and δ OSiO bending vibrations, ν (Si-Oterminal) stretching vibrations, ν OH stretching vibrations of hydroxyl ions and δ OH bending vibrations were attributed to the observed bands.

    15. FT-Raman, FT-IR spectral and DFT studies on 6, 8-dichloroflavone and 6, 8-dibromoflavone (pages 820–828)

      Yusuf Erdogdu, Ozan Unsalan and M. Tahir Gulluoglu

      Version of Record online: 13 NOV 2009 | DOI: 10.1002/jrs.2520

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      In this study, the experimental and theoretical vibrational results of the molecular structures of 6,8-dichloroflavone and 6,8-dibromoflavone are presented. The FT-IR and FT-Raman spectra of compounds have been recorded together between 4000 and 400 cm−1 and 3500–5 cm−1 regions, respectively. The molecular geometry and vibrational wavenumbers of 6,8-dcf and 6,8-dbf in their ground states have been calculated by using DFT/B3LYP functional, with 6-31 + + G(d,p) basis set used in calculations. All calculations were performed with Gaussian03 software. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data.

    16. Vibrational spectroscopic studies and computational study of methyl(2-methyl-4,6–dinitrophenylsulfanyl)ethanoate (pages 829–838)

      C. Yohannan Panicker, Asha Raj, Hema Tresa Varghese, K. Raju and Y. Sheena Mary

      Version of Record online: 21 OCT 2009 | DOI: 10.1002/jrs.2509

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      The FT-IR and FT-Raman spectra of methyl(2-methyl-4,6– dinitro phenylsulfanyl) ethanoate were recorded and analyzed. The surface-enhanced Raman scattering spectra were recorded in silver colloid and on silver electrode. The vibrational wavenumbers of the title compound were computed using the Hartree-Fock and DFT methods and compared with the experimental data. In the silver colloid SERS spectrum, the methyl group attached to the methoxy carbonyl group is close to the metal surface, whereas on silver electrode the methyl group attached to the phenyl ring is close to the metal surface.

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