The vibrational spectra of Dewar benzene and benzvalene

1975 ◽  
Vol 28 (7) ◽  
pp. 1397 ◽  
Author(s):  
DWT Griffith ◽  
JE Kent ◽  
MF O'Dwyer
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Infrared And Raman Spectra ◽  
Bridge Bond ◽  
Complete Assignment

Complete assignment of the fundamental vibrations of the two benzene valence isomers, Dewar benzene (bicyclo[2,2,0]hexa-2,5-diene) and benzvalene (tricyclo[3,1,0,02,6]hex-3-ene) based on infrared and Raman spectra are reported. Both molecules exhibit abnormal C=C stretching frequencies indicative of σ-π interaction between the strained bridge bond(s) and the π-bonds. The ?wing flapping? mode of Dewar benzene occurs at 381 cm-1.

Vibrational spectra and a force field for H2S3 and H2S4

1969 ◽  
Vol 47 (10) ◽  
pp. 1633-1637 ◽  
Author(s):  
H. Wieser ◽  
P. J. Krueger ◽  
E. Muller ◽  
J. B. Hyne
Keyword(s):  
Force Field ◽  
Least Squares ◽  
Concentration Dependence ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Average Error ◽  
Infrared And Raman Spectra ◽  
Valence Force Field ◽  
Least Squares Fit ◽  
Complete Assignment

The infrared and Raman spectra of H2S3 and H2S4 in CCl4 and CS2 solutions are reported and a complete assignment is presented. On the basis of the spectra and their temperature and concentration dependence, H2S3 is considered to be in the GG and H2S4 in the GG′G conformation. A valence force field is derived which provides a least-squares fit between observed and calculated frequencies for both molecules simultaneously, with an average error of 1.5 cm−1 (or 0.4%) over all frequencies.

VIBRATIONAL SPECTRA OF NAPHTHALENE-d0, -α-d4, AND -d8 MOLECULES

1959 ◽  
Vol 37 (3) ◽  
pp. 553-562 ◽  
Author(s):  
S. S. Mitra ◽  
H. J. Bernstein
Keyword(s):  
Heat Capacity ◽  
Raman Spectra ◽  
Satisfactory Agreement ◽  
Vibrational Spectra ◽  
Sum Rules ◽  
Infrared And Raman Spectra ◽  
Complete Assignment ◽  
Good Agreement

The infrared and Raman spectra of the naphthalene-α-d4 molecule have been obtained. The spectra of the d0 molecule have also been repeated and for the most part previous measurements have been confirmed. Together with the literature data for the naphthalene-d8 molecule, a complete assignment has been presented for all three molecules. It is recognized that the assignment is not definitive, although satisfactory agreement with the requirements of the band polarizations and contours, as well as product and sum rules, has been obtained. The calculated and observed values for the heat capacity and entropy are also in good agreement.

Vibrational spectra of aquadioxotetra; peroxodivanadates(V) M2[V2O2(O2)4(H2O)]·xH2O (M = N(CH3)4, Cs)

1990 ◽  
Vol 55 (6) ◽  
pp. 1485-1490 ◽  
Author(s):  
Peter Schwendt ◽  
Milan Sýkora
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Empirical Correlations ◽  
Normal Coordinate ◽  
Bond Lengths ◽  
Stretching Vibrations

The infrared and Raman spectra of M2[V2O2(O2)4(H2O)]·xH2O and M2[V2O2(O2)4(D2O)]·xD2O (M = N(CH3)4, Cs) were measured. In the region of the vanadium-oxygen stretching vibrations, the spectra were interpreted based on normal coordinate analysis, employing empirical correlations between the bond lengths and force constants.

Vibrational Spectra of Molten Salts. III. Infrared and Raman Spectra of Variably Hydrated Zinc Nitrate

1967 ◽  
Vol 47 (12) ◽  
pp. 5253-5258 ◽  
Author(s):  
R. E. Hester ◽  
C. W. J. Scaife
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Molten Salts ◽  
Zinc Nitrate ◽  
Infrared And Raman Spectra

Synthesis, crystal and molecular structure, and vibrational spectra of the complex (COOH)2•2H2O•18-crown-6

1986 ◽  
Vol 64 (1) ◽  
pp. 142-147 ◽  
Author(s):  
Suzanne Deguire ◽  
François Brisse ◽  
Jacques Ouellet ◽  
Rodrigue Savoie
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Infrared And Raman Spectra ◽  
O 18 ◽  
Stoichiometric Complex

A stoichiometric complex of formula (COOH)2•2H2O•18-crown-6 has been obtained from oxalic acid and the macrocyclic polyether 18-crown-6. The crystals of the complex have a monoclinic unit cell and belong to the P21/c space group. The components in the adduct are linked through hydrogen bonds in a polymer-like fashion: -crown–H2O–HOOCCOOH–OH2–crown–, where the oxalic acid molecules are present in two distinct disordered orientations. The infrared and Raman spectra of the complex are also reported and interpreted.

Schwingungsspektren und Kraftkonstanten der Hexacyano-Komplexe des Mangan(I), Technetium(I) und Rhenium(I) / Vibrational Spectra and Force Constants of the Hexacyano Complexes of Mangan(l), Technicium(I) and Rhenium(l)

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1193-1196 ◽  
Author(s):  
W. Krasser ◽  
K. Schwochau
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Point Group ◽  
Force Constants ◽  
Irreducible Representations ◽  
Infrared And Raman Spectra ◽  
Valence Force ◽  
Valence Force Field ◽  
Complex Salts

The infrared and Raman spectra of the complex salts K5[Mn(CN)6], K5[Tc(CN)6] and K5[Re(CN)s] have been recorded in the range from 4000 to 40 cm-1. All expected fundamental vibrations have been observed and could be assigned to the irreducible representations of the sym­metry point group Oh . The calculation of the force constants is based on the concept of the generalized valence force field. The low CN-valence force constants indicate the relatively strong Π-bonding character of the metal carbon bond, which is especially pronounced for K5[Tc(CN)6).

Kristallstruktur und Schwingungsspektren des Di-Blei-Hexaselenohypodiphosphates Pb2P2Se6 / Crystal Structure and Vibrational Spectra of Pb2P2Se6

1984 ◽  
Vol 39 (4) ◽  
pp. 357-361 ◽  
Author(s):  
Robert Becker ◽  
Wolfgang Brockner ◽  
Herbert Schäfer
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Far Infrared ◽  
Infrared And Raman Spectra ◽  
Monoclinic System ◽  
Space Group ◽  
Lattice Constants

Pb2P2Se6 crystallizes in the monoclinic system, space group Pn (No. 13) with the lattice constantsa = 974.2 (4) pm. b = 766.2 (3) pm. c = 689.8 (3) pm, β=91.44(5)°.The title compound is isotypic to the homologous Pb2P2S6. In the structure there are discrete P2Se4-6 anions.Far infrared, infrared and Raman spectra of this compound have been recorded. The observed frequencies are assigned on the basis of P2Se4-6 units with C2h symmetry in the crystal. DTA-data have been determined and interpreted.

Vibrational spectra of liquid crystals. IV. Infrared and raman spectra of phospholipid-water mixtures

1972 ◽  
Vol 94 (4) ◽  
pp. 1109-1112 ◽  
Author(s):  
Bernard J. Bulkin ◽  
N. Krishnamachari
Keyword(s):  
Liquid Crystals ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Infrared And Raman Spectra
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