Vibrational spectra and thermodynamic properties of thiazole, 2-aminothiazole, 2-amino-[2H]-thiazole and 2-amino-[2H2]-thiazole

1989 ◽  
Vol 54 (1) ◽  
pp. 28-41 ◽  
Author(s):  
Juan F. Arenas ◽  
Jesús Perez-Peña ◽  
Melchor Gonzalez-Davila
Keyword(s):  
Raman Spectrum ◽  
Thermodynamic Properties ◽  
Infrared Spectra ◽  
Thermodynamic Functions ◽  
Vibrational Spectra ◽  
Solid Phase ◽  
Infrared And Raman Spectra ◽  
Product Rule ◽  
Combination Bands ◽  
Microcrystalline Powder

Infrared and Raman spectra of thiazole have been reinvestigated with new assignments of overtone and combination bands being proposed. Infrared spectra in the solid phase and in different solutions for 2-aminothiazole and 2-amino-[2H2]-thiazole, as well as Raman spectrum of microcrystalline powder for 2-aminothiazole were also studied and a general assignment for all the observed bands have been proposed. The present assignment satisfies the isotopic product rule for i.r. fundamentals. On this basis thermodynamic functions have been computed.

Vibrational spectra of mercury(II) and methylmercury(II) thiocyanates

1969 ◽  
Vol 22 (10) ◽  
pp. 2117 ◽  
Author(s):  
RPJ Cooney ◽  
JR Hall
Keyword(s):  
Raman Spectrum ◽  
Solid State ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Unit Cell ◽  
Infrared And Raman Spectra

The Raman spectra of Hg(SCN)2 in both the solid state and in solution have been recorded and interpreted in conjunction with the infrared spectra. For the solid state the Raman shifts for Hg-S stretching, S-C stretching, and C-N stretching are 270, 721, and 2112 cm-1 respectively. In diglyme solution the corresponding values are 278, 692, and 2139 cm- 1. The infrared and Raman spectra of CH3HgSCN in the solid state do not contain any coincidences which may indicate that the unit cell is centrosymmetric. The Raman spectrum of CH3HgSCN in CH3OH solution shows strong, sharp, polarized lines at 283, 540, 1186, and 2138 cm-1 which are attributed to Hg-S stretching, Hg-C stretching, CH3 deformation, and C-N stretching modes respectively.

scholarly journals Thermodynamic Study of Tl6SBr4 Compound and Some Regularities in Thermodynamic Properties of Thallium Chalcohalides

2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
Dunya Mahammad Babanly ◽  
Qorkhmaz Mansur Huseynov ◽  
Ziya Saxaveddin Aliev ◽  
Dilgam Babir Tagiyev ◽  
Mahammad Baba Babanly
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Thermodynamic Functions ◽  
Chemical Bonding ◽  
Electromotive Force ◽  
Solid Phase ◽  
Thermodynamic Study ◽  
Degree Of Ionization ◽  
Emf Measurements ◽  
Concentration Cells

The solid-phase diagram of the Tl-TlBr-S system was clarified and the fundamental thermodynamic properties of Tl6SBr4 compound were studied on the basis of electromotive force (EMF) measurements of concentration cells relative to a thallium electrode. The EMF results were used to calculate the relative partial thermodynamic functions of thallium in alloys and the standard integral thermodynamic functions (-ΔfG0, -ΔfH0, and S0298) of Tl6SBr4 compound. All data regarding thermodynamic properties of thallium chalcogen-halides are generalized and comparatively analyzed. Consequently, certain regularities between thermodynamic functions of thallium chalcogen-halides and their binary constituents as well as degree of ionization (DI) of chemical bonding were revealed.

THE VIBRATIONAL SPECTRA OF SULPHURYL AND THIONYL HALIDES

1961 ◽  
Vol 39 (11) ◽  
pp. 2171-2178 ◽  
Author(s):  
R. J. Gillespie ◽  
E. A. Robinson
Keyword(s):  
Raman Spectrum ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Infrared And Raman Spectra ◽  
Fundamental Frequencies

New assignments are proposed for the fundamental frequencies of SOF2, SOCl2, SO2Cl2, SO2F2, and SO2FBr, based on new measurements of the Raman spectrum of SO2Cl2 and previous measurements of the infrared and Raman spectra of these molecules. The fundamental frequencies of these molecules are found to be related to each other and to those of similar molecules when the normal modes are described in terms of characteristic vibrations of the SO, SO2, S(Hal), and S(Hal)2 groups.

A vibrational study of tautomerism and associations of 2-mercaptoimidazole and 2-mercaptothiazole

1989 ◽  
Vol 54 (8) ◽  
pp. 2045-2053 ◽  
Author(s):  
Jesús Perez-Peña ◽  
Melchor Gonzalez-Davila ◽  
Miguel Suarez-Tangil ◽  
Joaquin Hernandez-Brito
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Thermodynamic Functions ◽  
Infrared And Raman Spectra ◽  
Dilute Solutions ◽  
Vibrational Study ◽  
Combination Bands ◽  
General Assignment ◽  
Hydrogen Bonded

Infrared and Raman spectra of 2-mercaptoimidazole and 2-mercaptothiazole in solid state as well as i.r. spectra of 2-mercaptothiazole in HCCl3 and CS2 0.05M solutions have been investigated. A general assignment of all the observed bands is proposed for both fundamental vibrations and for overtone and combination bands. For 2-mercaptothiazole, the thiocarbonyl-form, intermolecularly hydrogen-bonded dimers in solid state, and unassociated molecules in dilute solutions of inert solvents have been established. Finally, based on this data, thermodynamic functions have been computed.

The Vibrational Spectra of VPO5 Crystal Phases and Related Glasses

1977 ◽  
Vol 31 (3) ◽  
pp. 230-236 ◽  
Author(s):  
R. N. Bhargava ◽  
R. A. Condrate
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Rayleigh Scattering ◽  
Physical Adsorption ◽  
Group Analysis ◽  
Phosphate Glasses ◽  
Infrared And Raman Spectra ◽  
Vanadium Phosphate ◽  
Space Groups

Infrared and Raman spectra were measured and interpreted for two crystalline VPO5 phases (α- and β-VPO5) and several related vanadium phosphate glasses. The spectral results for the crystalline phases were consistent with those predicted by factor group analysis using the previously determined space groups. Empirical band assignments were made for the observed bands on the basis of the bands observed earlier for related phosphate and oxyvanadium compounds. Also, the band assignments made for the infrared spectra of the glasses were consistent with the assignments for crystalline V2O5 and the two crystalline VPO5 phases. No Raman spectra were observed for the glasses because processes involving adsorption and Rayleigh scattering dominated over Raman scattering. The infrared spectra of vanadium phosphate glasses with high P2O5 concentrations possessed many features resembling those observed in the infrared spectra of α-VPO5, suggesting similarities in the short range order for the two materials. Analyses of the vibrational spectra of hydrated α-VPO5 samples suggests that the water molecules are adsorbed in the interlamellar spaces of the crystals, complexing to vanadium ions. Initial steps in the hydration of vanadium phosphate glasses apparently involve physical adsorption of water on their surfaces. No water adsorption could be detected for β-VPO5 under normal conditions from its infrared and Raman spectra.

Vibrational Spectra and Normal Coordinate Analysis of Disulfuryl Difluoride S2O5F2 and Diselenonyl Difluoride Se2O5F2

1993 ◽  
Vol 58 (3) ◽  
pp. 517-529 ◽  
Author(s):  
Jiří Toužín ◽  
Miloš Černík
Keyword(s):  
Raman Spectrum ◽  
Force Field ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Valence Force Field ◽  
Overlapping Bands

Raman spectra (1 600 - 100 cm-1) of liquid S2O5F2 and Se2O5F2 and infrared spectra of liquid and gaseous S2O5F2 were measured. A modified general valence force field was used for their interpretation by normal coordinate analysis. Refinement of the number of lines in the Raman spectrum of S2O5F2 by means of numerical separation of the overlapping bands led to the conclusion that liquid S2O5F2 consists at least of three rotamers at room temperature.

The Infrared and Raman Spectra and Vibrational Assignment of t-Butyl Bromide-h9 and -d9

1973 ◽  
Vol 51 (20) ◽  
pp. 3344-3353 ◽  
Author(s):  
John E. Bertie ◽  
Sham Sunder
Keyword(s):  
Thermodynamic Properties ◽  
Raman Spectra ◽  
Infrared Spectra ◽  
Average Error ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Normal Coordinate ◽  
Butyl Bromide ◽  
Fundamental Frequencies ◽  
Liquid States

The infrared spectra between 4000 and 10 cm−1 of t-butyl bromide-h9 and -d9 in the gas and liquid states, and the Raman spectra between 3500 and 10 cm−1 of the liquids under parallel and perpendicular polarizations, have been recordeds and assigned. The compatibility of the assignments for the light and heavy molecules has been checked by normal coordinate calculations, in which 14 valence force constants have reproduced 40 fundamental frequencies with an average error of 1.5%. The calculated thermodynamic properties of both molecules are presented for temperatures between 50 and 500 °K.

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