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.

Vibration spectra of sulphur tetranitride

1981 ◽  
Vol 46 (11) ◽  
pp. 2613-2619 ◽  
Author(s):  
Jiří Toužín
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Vibration Spectra

Available data on infrared and Raman spectra of S4N4 in solid state and solutions have been verified and completed. On the basis of normal coordinate analysis an attempt has been made to define with more precision the interpretation of vibration spectra of this compound given in earlier reports.

Low frequency infrared and Raman spectra of the N,N,N′,N′-tetramethyl-ethylenediamine adducts of the Group IIb dihalides

1970 ◽  
Vol 48 (1) ◽  
pp. 181-184 ◽  
Author(s):  
M. H. Abraham ◽  
F. W. Parrett
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Low Frequency ◽  
Infrared And Raman Spectra ◽  
Cadmium Complexes ◽  
Mercury Complexes ◽  
Vibrational Bands

A study of the low frequency vibrational spectra of the complexes MX2.TMED (where M = Zn, Cd, Hg; X = Cl, Br, I; TMED = N,N,N′,N′-tetramethylethylenediamine suggests that in the solid state the zinc and mercury complexes are 4-coordinated but the cadmium complexes are all based on octahedral halogen bridged structures. Assignments of the vibrational bands are discussed.

Preparation, Infrared and Raman Spectra, and Stereochemistries of Pentacoordinate Trimethylphosphine Complexes, MX4•P(CH3)3 and MX4•P(CD3)3 where M = Ge or Sn and X = Cl or Br

1973 ◽  
Vol 51 (16) ◽  
pp. 2697-2709 ◽  
Author(s):  
D. K. Frieson ◽  
G. A. Ozin
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Axial Ligand ◽  
Axial Position ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Equatorial Ligand

The 1:1 adducts MX4•PMe3 (M = Ge or Sn; X = Cl or Br) are prepared by recrystallization of the respective 1:2 complexes from excess MX4 acceptor. Solid state infrared and Raman Spectra and X-ray powder photographs suggest that these adducts are all trigonal bipyramidal with the ligand in an axial position. Normal coordinate calculations in C3v symmetry (axial ligand) and Cs symmetry (equatorial ligand) support this assignment. The rather high ν(MP) frequencies indicate unusually strong metal–phosphorus donor bonds in these compounds.

Spectra and Structure of Silicon-Containing Compounds. X. Infrared and Raman Spectra of Methoxytrimethylsilane and Methoxy-D3-Trimethylsilane

1978 ◽  
Vol 32 (5) ◽  
pp. 457-462 ◽  
Author(s):  
J. R. Durig ◽  
B. J. Streusand
Keyword(s):  
Solid State ◽  
Internal Rotation ◽  
Raman Spectra ◽  
Strong Mixing ◽  
Isotopic Substitution ◽  
Infrared And Raman Spectra ◽  
Vibrational Assignment ◽  
Torsional Mode ◽  
Frequency Shifts ◽  
Bending Mode

The infrared (20 to 3100 cm−1) and Raman (10 to 3100 cm−1) spectra of gaseous (CH3)3SiOCH3 and (CH3)3SiOCD3 have been recorded. The Raman spectra of both liquids and the infrared and Raman spectra of the “light” compound in the solid state have also been recorded. A vibrational assignment based upon depolarization ratios, frequency shifts with isotopic substitution, and group frequencies is proposed. The Si—O torsional mode was observed at 67 cm−1 which gives a barrier to internal rotation of 1.02 kcal/mol. Strong mixing of the Si—O—C bending mode with the C—Si—C bends is proposed. The CH3—O torsion was not observed.

Matrix-Isolation Studies and Ring Conformation of 1,3-Dithietane

1979 ◽  
Vol 33 (4) ◽  
pp. 361-364 ◽  
Author(s):  
V. F. Kalasinsky ◽  
E. Block ◽  
D. E. Powers ◽  
W. C. Harris
Keyword(s):  
Solid State ◽  
Raman Spectra ◽  
Crystal Packing ◽  
Mutual Exclusion ◽  
Infrared And Raman Spectra ◽  
Molecular Symmetry ◽  
Free Molecule ◽  
Ring Conformation ◽  
Argon Matrix ◽  
The Matrix

The infrared and Raman spectra of 1,3-dithietane have been recorded with the sample in the solid state and trapped in an argon matrix at 18K. The number of coincidences between the infrared and Raman spectra of the matrix-isolated sample is consistent with C2v molecular symmetry in which the ring has a puckered conformation. In the solid state a number of bands disappear upon annealing, and the observed mutual exclusion for the annealed solid can be interpreted in terms of D2h, symmetry. Whereas the matrix probably represents the “free” molecule, the planarity of the ring in the annealed solid can be attributed to crystal packing.

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