Journal of Raman Spectroscopy

Cover image for Vol. 48 Issue 7

Early View (Online Version of Record published before inclusion in an issue)

Impact Factor: 2.969

ISI Journal Citation Reports © Ranking: 2016: 8/41 (Spectroscopy)

Online ISSN: 1097-4555

  1. Research articles

    1. Forbidden mineral assemblage coesite-disordered graphite in diamond-bearing kyanite gneisses (Kokchetav Massif)

      Olga V. Shchepetova, Andrey Korsakov, Denis Mikhailenko, Pavel Zelenovskiy, Vladimir Shur and Hiroaki Ohfuji

      Version of Record online: 31 MAY 2017 | DOI: 10.1002/jrs.5167

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      Confocal 2D and 3D Raman imaging was applied to SiO2 inclusions in kyanite porphyroblasts from diamond-bearing kyanite gneisses of the Kokchetav Massif (Northern Kazakhstan). The study reveals a mineral assemblage of coesite-disordered graphite which is forbidden in ultrahigh pressure - high temperature (UHP-HT) metamorphic complexes. Disordered graphite in coesite inclusions is optically undetectable and has been identified exclusively by Raman spectroscopy.

    2. Bioconjugated graphene oxide-based Raman probe for selective identification of SKBR3 breast cancer cells

      Afua A. Antwi-Boasiako, Derrick Dunn, Samuel S. R. Dasary, Yolanda K. Jones, Sandra L. Barnes and Anant K. Singh

      Version of Record online: 31 MAY 2017 | DOI: 10.1002/jrs.5170

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      Graphene oxide is conjugated with S6 RNA aptamer and anti-human epidermal growth factor receptor 2/c-erb-2 to construct a biofunctional composite to target SKBR3 breast cancer cell. Transmission electron microscope and dynamic light scattering results indicate well-dispersed 2D nano-GO, which is of a great benefit to reducing blinking effect and enhancing photostability during Raman measurement. We observed a direct evidence of internalization of GO through SKBR3 that causes disappearance of bond stretching peak of sp2 atoms at 1580 cm−1 (G band) and breathing modes (D band) of sp2 atoms in rings near 1360 cm−1.

    3. Field identification of minerals at burning coal dumps using miniature Raman spectrometers

      Košek F., Culka A. and Jehlička J.

      Version of Record online: 26 MAY 2017 | DOI: 10.1002/jrs.5161

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      A lightweight portable Raman spectrometer equipped with 785-nm diode laser was used for the in situ investigation of coal-fire derived mineral encrustations at Heřmanice dump, the Czech Republic. Sulfur, sal ammoniac, mascagnite, letovicite, sabieite, pyracmonite, efremovite, godovikovite and boussingaultite were detected. Performance of the miniature spectrometer for the characterization of mineral aggregates of complex composition are demonstrated.

  2. Short communications

    1. Raman spectroscopy and theoretic study of hyperpolarizability effect in diiodobutenyl-bis-thioquinolinium triiodide at low temperature

      I. D. Yushina, V. I. Batalov, E. V. Bartashevich, A. O. Davydov, P. S. Zelenovskiy and A. E. Masunov

      Version of Record online: 26 MAY 2017 | DOI: 10.1002/jrs.5159

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      The low temperature behavior of diiodobutenyl-bis-thioquinolinium triiodide with NHN hydrogen bond has been studied. Multiple possible positions of hydrogen atom in hydrogen-bonded NHN fragment lead to symmetry break below 140 K according to Raman data. According to first principles theoretic calculations in C2/c and Cc space groups, such effect should result in the appearance of nonlinear optical properties and open possibilities to use diiodobutenyl-bis-thioquinolinium triiodide and similar structures with oriented hydrogen-bonded networks as optical switches.

  3. Research articles

    1. In situ Raman spectroscopy investigation of the solubility and dissolution mechanism of 1,2-dichlorobenzene in hot compressed water in a fused silica capillary reactor

      Ke Bei, Jie Chen, Junliang Wang, I-Ming Chou, Minghai Yao and Zhiyan Pan

      Version of Record online: 26 MAY 2017 | DOI: 10.1002/jrs.5153

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      The solubility of 1,2-dichlorobenzene increased from 35.9 to 85.7 mg g−1 in water with increasing the temperature from 256.7 to 294.1 °C. The breakage of the fully hydrogen-bonded (tetrahedral) configuration and the consequent change in the static dielectric constant of water are deemed to be compelling reasons for the high solubility of 1,2-dichlorobenzene in hot compressed water.

    2. Graphite-bearing mineral assemblages in the mantle beneath Central Aldan superterrane of North Asian craton: combined confocal micro-Raman and electron microprobe characterization

      Evgeny I. Nikolenko, Igor S. Sharygin, Taisia A. Alifirova, Andrey V. Korsakov, Pavel S. Zelenovskiy and V. Ya. Shur

      Version of Record online: 10 MAY 2017 | DOI: 10.1002/jrs.5163

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      In the present paper, we document the first presence of graphite in the mantle of Central Aldan superterrane of North Asian Craton. Here, we used micro-Raman spectroscopy as well as electron microprobe analysis to study the mineralogy of inclusion in mantle-derived garnets from the Chompolo lamprophyres. We describe graphite bearing mantle assemblages and discuss the origin of graphite within the mantle of the Central Aldan superterrane.

    3. Pressure-induced phase transitions of vaterite, a metastable phase of CaCO3

      Koji Maruyama, Hiroyuki Kagi, Kazuki Komatsu, Toru Yoshino and Satoshi Nakano

      Version of Record online: 10 MAY 2017 | DOI: 10.1002/jrs.5162

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      Pressure-induced phase transitions of vaterite, a metastable phase of CaCO3, were observed from Raman spectra and X-ray diffraction patterns at room temperature. At 4.3 GPa, vaterite transformed to vaterite II. With increasing pressure, a part of vaterite II transformed to calcite III, and the remainder of vaterite II transformed to vaterite III. The phase transition from vaterite II to calcite III was irreversible. At pressures higher than 13.1 GPa, another phase transition from vaterite III to vaterite IV was found.

    4. CO2-bearing fluid inclusions associated with diamonds in zircon from the UHP Kokchetav gneisses

      Anastasia O. Mikhno, Kira A. Musiyachenko, Olga V. Shchepetova, Andrey V. Korsakov and Sergey V. Rashchenko

      Version of Record online: 4 MAY 2017 | DOI: 10.1002/jrs.5139

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      CO2-bearing fluid inclusions have been discovered in zircons of diamond-bearing gneiss from the Kokchetav Massif. Finds of multiphase solid inclusions next to CO2-bearing fluid inclusions in zircons provide evidence for the presence of immiscible CO2-bearing fluid and silicate melt at peak metamorphic conditions. Judging by its coexistence and proximity with CO2-bearing fluid inclusions in zircons, diamond formed in moderately oxidized conditions.

    5. Pressure dependence of peak positions, half widths, and peak intensities of methane Raman bands (ν2, 2ν4, ν1, ν3, and 2ν2).

      Dmitry V. Petrov

      Version of Record online: 18 APR 2017 | DOI: 10.1002/jrs.5141

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      Results of investigation of changing peak positions, half widths, and peak intensities of Q-branches of the ν2, 2ν4, ν1, ν3, and 2ν2 methane Raman bands are presented at pressures in the range 1−55 bar and а temperature of 298 K. A set of data obtained will be useful for the Raman analysis of natural gas and can also be used for determination of the pressure of methane-containing media.

    6. High-pressure Raman study of nyerereite from Oldoinyo Lengai

      Sergey V. Rashchenko, Sergey V. Goryainov, Alexander V. Romanenko, Alexander V. Golovin, Andrey V. Korsakov, Bertrand N. Moine and Anastasia O. Mikhno

      Version of Record online: 17 APR 2017 | DOI: 10.1002/jrs.5152

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      Secondary melt inclusion in olivine xenocryst from the Udachnaya-East kimberlite.

    7. High-pressure Raman spectroscopy of Ca(Mg,Co)Si2O6 and Ca(Mg,Co)Ge2O6 clinopyroxenes

      M. Tribaudino, I. Aliatis, D. Bersani, G. D. Gatta, E. Lambruschi, L. Mantovani, G. Redhammer and P. P. Lottici

      Version of Record online: 17 APR 2017 | DOI: 10.1002/jrs.5134

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      In situ high-pressure Raman spectra were collected on pyroxenes, with composition CaCoSi2O6, CaMgSi2O6, CaMgGe2O6 and CaCoGe2O6, up to P = 8.3 GPa. The peak wavenumbers υi increase almost linearly with pressure; the slope dυi/dP is more pronounced for the modes at higher wavenumbers, and higher in germanates than in silicates. The strong dependence of the higher energy stretching modes with pressure shows that Raman spectroscopy is best suited to detail subtle changes in the tetrahedra of germanates and silicates.

    8. Spectral restoration method for spatial heterodyne Raman spectrometer

      Guangxiao Hu, Wei Xiong, Haiyan Luo, Hailiang Shi, Zhiwei Li, Jing Shen, Xuejing Fang and Biao Xu

      Version of Record online: 12 APR 2017 | DOI: 10.1002/jrs.5145

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      Spatial heterodyne Raman spectrometer (SHRS) is a new developing method to detect Raman spectra with many advantages over traditional instruments. The research focuses on the spectral restoration method of SHRS, which is the key part to remove the potential data defects. The processing results prove that the restoration method has a good performance for real Raman spectra achieved by an SHRS breadboard.

    9. Raman spectra of nyerereite, gregoryite, and synthetic pure Na2Ca(CO3)2: diversity and application for the study micro inclusions

      A. V. Golovin, A. V. Korsakov, P. N. Gavryushkin, A. N. Zaitsev, V. G. Thomas and B. N. Moine

      Version of Record online: 12 APR 2017 | DOI: 10.1002/jrs.5143

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      The strongest Raman bands for nyerereite, Na2Ca(CO3)2, and gregoryite occur at 1070–1090 cm−1 region. Raman spectra of the nyerereite (incommensurately modulated structure, space group Cmcm) can be divided into three types and are likely to be related to crystallographic orientations. Synthetic Na2Ca(CO3)2 (commensurately modulated structure, P21ca) has only one type of Raman spectrum, but intensity ratios of the bands vary significantly. The strongest Raman band of one type of the nyerereite can be erroneously interpreted as gregoryite, but later is always symmetrical.

    10. Identification of inorganic and organic inclusions in the subglacial antarctic Lake Vostok ice with Raman spectroscopy

      U. Böttger, S. A. Bulat, F. Hanke, S. G. Pavlov, M. Greiner-Bär and H.-W. Hübers

      Version of Record online: 11 APR 2017 | DOI: 10.1002/jrs.5142

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      First results of Raman measurements of inclusions in accretion ice type I in a Vostok lake ice sample show that Raman spectroscopy is an appropriate method for the exploration of inclusions entrapped into lattice of any natural mono-crystalline ice. As Raman spectroscopy will be applied in upcoming space missions, a co-operation of the space science community with the Antarctic Lake Vostok community is suggested to test the space instrumentation under the extreme Antarctic environment and conditions of the subglacial Lake Vostok.

    11. Raman microspectrometric study of pigments in melanized fungi from the hyperarid Atacama desert gypsum crust

      Adam Culka, Jan Jehlička, Carmen Ascaso, Octavio Artieda, Cristina M. Casero and Jacek Wierzchos

      Version of Record online: 11 APR 2017 | DOI: 10.1002/jrs.5137

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      Microbial communities composed by eukaryotic microorganisms: melanized fungi and algae colonizing the interior of gypsum crusts in hyperarid zone of the Atacama desert were studied by Raman microspectroscopy. Melanin pigments present in fungi cell walls were identified directly in the colonized gypsum crust and on the cultivated culture of the fungi from Neocatenulostroma genus. Two signature broad bands located at wavenumbers 1605–1580 cm−1 and around 1350 cm−1 have been detected and confirmed melanin as a main fungal protective pigment.

    12. Geochemical study of the Northwest Africa 6148 Martian meteorite and its terrestrial weathering processes

      Imanol Torre-Fdez, Julene Aramendia, Leticia Gomez-Nubla, Kepa Castro and Juan M. Madariaga

      Version of Record online: 11 APR 2017 | DOI: 10.1002/jrs.5148

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      In order to characterise the NWA 6148 Martian nakhlite Raman imaging, XRF imaging and SEM-EDS analysis has been performed. Augite and olivine have been found as the main mineral phases of the sample, and metal proportion quantification was performed by means of Raman bands position for both minerals. Moreover, several uncommon minerals were found, including the Co3O4, which is the first time that is observed in a Martian meteorite.

    13. Comparison of Raman-active crystals as a narrowband probe light source for picosecond three-color vibrational CARS thermometry

      Christian Meißner, Johannes W. Tröger, Dimitrii N. Kozlov, Frank Beyrau and Thomas Seeger

      Version of Record online: 11 APR 2017 | DOI: 10.1002/jrs.5135

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      Solid-state Raman shifters are for the first time tested and employed as a probe light source in a three-color picosecond vibrational CARS approach for thermometry. The first results of temperature measurements under ambient conditions and in a sooting ethylene/air flame are presented. Therewith, temperature errors by N2 vibrational CARS measurements in sooting flames can be avoided.

    14. Portable Raman verification and quantification of jade in Olmec ceremonial axes from El Manatí, Veracruz, Mexico

      François Gendron, David C. Smith, Pierre Masson, María del Cármen Rodríguez Martínez and Ponciano Ortiz Ceballos

      Version of Record online: 11 APR 2017 | DOI: 10.1002/jrs.5122

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      A series of Olmec ceremonial stone axes from an archaeological site in Mexico have been analysed by hand-held portable Raman spectroscopy in order to verify physico-chemically which ones really are in jade. The recognised sodic aluminous clinopyroxenes were then quantified in terms of mol. % jadeite in the solid-solution series Jd–Di–Hd using an available calibration of the wavenumber shifts of their T–O–T vibration band. Problems with jade terminology, with correlating density measurements and with provenancing rock types are discussed.

    15. Ab initio simulations and experimental Raman spectra of Mg2SiO4 forsterite to simulate Mars surface environmental conditions

      C. Stangarone, U. Böttger, D. Bersani, M. Tribaudino and M. Prencipe

      Version of Record online: 7 MAR 2017 | DOI: 10.1002/jrs.5127

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      Comparison between a natural sample of forsterite (Fo#89) unpolarized Raman spectrum (bottom) and a calculated forsterite Mg2SiO4 by means of CRYSTAL14 (top). The box at the top on the left is an enlargement of wavenumbers from 150 to 500 cm−1 to emphasize peaks at low wavenumbers.

    16. Standoff spatial heterodyne Raman spectrometer for mineralogical analysis

      Miles Jacob Egan, S. M. Angel and Shiv K. Sharma

      Version of Record online: 7 MAR 2017 | DOI: 10.1002/jrs.5121

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      Traditionally, Raman spectra were acquired with grating-based dispersive spectrometers that require tens of micrometer-sized entrance slits and thus limited light throughput. We have used a new type of Fourier transform Raman spectrometer, the spatial heterodyne Raman spectrometer, that provides high spectral resolution in a compact system without limiting light throughout. In this work, we present time-resolved Raman spectra of carbonate, sulfate, and silicate minerals.