Schwingungsspektren der Schwefelringe S8, 34S8, S12 und S12 · CS2 sowie thermodynamische Funktionen der Moleküle Sn (n = 2 — 12) / Vibrational Spectra of the Sulfur Rings S8, 34S8, S12 and S12 · CS2 and Thermodynamic Functions of the Molecules Sn (n = 2…12)

1978 ◽  
Vol 33 (8) ◽  
pp. 951-958 ◽  
Author(s):  
Ralf Steudel ◽  
Hans-Joachim Mäusle
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Thermodynamic Functions ◽  
Vibrational Spectra ◽  
Molecular Size ◽  
Heat Capacities ◽  
Force Constants ◽  
Sulfur Vapor ◽  
Sulfur Species

Raman spectra of S8, 34S8, S12, and S12 · CS2 are reported and force constants have been calculated for S8 and S12 using a modified Urey-Bradley force field. The fundamental vibrations and molecular geometries of S8 and S12 have been used for the calculation of thermodynamic functions. The standard entropies, S0T, as well as the molar heat capacities, Cp, of sulfur species Sn are shown to depend linearly on the molecular size, n, as follows (in J · mole-1 · K-1):S0298 = 35.16n + 147.0, Cp(298 K) = 21.00 n - 11.7.By interpolation entropies for S9, S10 and S11 have been obtained, and these data are used to show that the concentrations of sulfur rings larger than S8 in sulfur vapor must be negligibly small.

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).

scholarly journals Vibrational Spectra and Force Constants of Tetrasulfurtetranitride, S4N4 [1]

1981 ◽  
Vol 36 (8) ◽  
pp. 850-858 ◽  
Author(s):  
Ralf Steudel
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Point Group ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Valence Force ◽  
Group D ◽  
Single Bonds ◽  
Good Agreement

Abstract Infrared and Raman spectra of solid and dissolved S414N4 and of solid S415N4 have been recorded and assigned in accordance with the molecular point group D2d. 22 of the 28 fundamental vibrations of both molecules have been identified and used to calculate force constants applying a modified Urey-Bradley force field with 9 independent constants. Good agreement between observed and calculated wavenumbers was obtained, and both Urey-Bradley and valence force constants are given. The results indicate that-S4N4 basically contains eight SN single bonds and two extremely weak SS bonds.

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.

The Vibrational Spectrum and Urey-Bradley Force Constants of the Trifluoromethyltrifluoroborate(1-) Anion

1973 ◽  
Vol 27 (3) ◽  
pp. 209-213 ◽  
Author(s):  
John F. Jackovitz ◽  
Charles E. Falletta ◽  
James C. Carter
Keyword(s):  
Potential Energy ◽  
Vibrational Spectrum ◽  
Energy Distribution ◽  
Force Field ◽  
Raman Spectra ◽  
Normal Modes ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate

Infrared and Raman spectra for (K+) (CF3BF3−) have been obtained from 4000 to 50 cm−1. Spectral assignments were made on the basis of C3v symmetry using both 10B and 11B compounds. In addition, a normal coordinate analysis was performed to obtain the potential energy distribution of the normal modes. A Urey-Bradley type force field was used, and force constants obtained for the CF3 and BF3 groupings were compared to those in C2F6 and BF4−.

Perfluormethyl-Element-Liganden, XI Die Schwingungsspektren von (CF3)2EMn(CO)5 (E=P, As) / Perfluoromethyl Element Ligands, XI. Vibrational Spectra of (CF3)2EMn(CO)5 (E = P, As)

1975 ◽  
Vol 30 (7-8) ◽  
pp. 539-543 ◽  
Author(s):  
Reinhard Demuth ◽  
Joseph Grobe ◽  
Robert Rau
Keyword(s):  
Liquid Phase ◽  
Force Field ◽  
Gas Phase ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Ir And Raman

The gas phase IR and liquid phase IR and Raman spectra of (CF3)2PMn(CO)5 and (CF3)2AsMn(CO)6 have been recorded. The spectra are assigned on the basis of a normal coordinate analysis using a transferred force field.

scholarly journals The Vibrational Spectra of Silane and Germane Derivatives. Part IV. The Infrared and Raman Spectra of the Iodo(methyl)germanes

1971 ◽  
Vol 49 (18) ◽  
pp. 2931-2936 ◽  
Author(s):  
J. W. Anderson ◽  
G. K. Barker ◽  
J. E. Drake And ◽  
R. T. Hemmings
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
A Priori ◽  
Normal Coordinate Analysis ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Fundamental Frequencies

The infrared and Raman spectra of the series of iodo(methyl)germanes, CH3GeI3, (CH3)2GeI2, and (CH3)3GeI have been recorded. A normal coordinate analysis based on a modified valence force field confirms the a priori assignments for all of the fundamental frequencies except the torsional modes.

Die Schwingungsspektren von μ-Οxο- und μ-Nitridokomplexen des Rutheniums and Rheniums / Vibrational Spectra of μ-Oxo and µ-Nitrido Complexes of Ruthenium and Rhenium

1975 ◽  
Vol 30 (3-4) ◽  
pp. 210-214 ◽  
Author(s):  
Rainer Mattes ◽  
Mohamed Moumen ◽  
Ingeborg Pernoll
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Normal Coordinate ◽  
Nitrido Complexes ◽  
Tetramethylammonium Salts

The infrared and Raman spectra of potassium and tetramethylammonium salts of the dinuclear anions M2OX104- and M2NX8(H2O)23-, with M=Ru, Re and X=Cl, Br, have been registered and assigned on the basis of a normal coordinate analysis. The totally symmetric vibrations νsΜ2Ο (νsM2N), νsMXa,x(νsM—OH2) and δsOMX (δsNMX) show considerable mixing. The force constants of the bridge bonds are 3.9 mdyn/Å for the μ-oxo-and 5.1 mdyn/Å for the μ-nitrido-compounds, the respective stretch-stretch interaction constants 0.45 and 0.6 mdyn/Å.

Studies of silyl and germyl group VI species. Part VI. Synthesis and vibrational spectra of methylthiosilanes

1981 ◽  
Vol 59 (19) ◽  
pp. 2909-2920 ◽  
Author(s):  
John E. Drake ◽  
Boris M. Glavinčevski ◽  
Layla N. Khasrou
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Group Vi ◽  
Valence Force ◽  
Valence Force Field ◽  
Ir And Raman

Methylthiosilanes of the type (CH3)nH3−nSiSCH3, n = 0–3, and (CH3)HSi(SCH3)2 have been prepared. Their ir and Raman spectra were recorded and assigned. The assignments were supported by normal coordinate analyses based on a modified valence force field.

Über die Koordinationspolymeren M(II)[Pt(CN)6], II Schwingungsspektren und Kraftkonstanten / Coordination Polymers M(II)[Pt(CN)6], II Vibrational Spectra and Force Constants

1975 ◽  
Vol 30 (9-10) ◽  
pp. 669-676 ◽  
Author(s):  
Hans Siebert ◽  
Manfred Weise
Keyword(s):  
Ir Spectra ◽  
Force Constant ◽  
Raman Spectra ◽  
Coordination Polymers ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Ligand Field ◽  
Normal Coordinate

The IR spectra (33-4000 cm-1) and the RAMAN spectra (0-2500 cm-1) of the complexes M(II)[Pt(CN)6] (M = Mg, Ca, Cr, Mn, Fe, Co, Ni, Cu, Zn, Cd) have been recorded. In the region 33-300 cm-1, the IR spectra of the isotopic compounds with 64Zn and 68Zn68Zn and with 58Ni and 62Ni have been obtained. The observed frequencies are assigned to the normal modes of the lattices.A normal coordinate analysis has been carried out for the above coordination polymers. The force constants of the Pt(CN)6 moiety are with one exception identical with those obtained for the isolated ion. The CN valency force constant is slightly shifted to higher values. The valency force constants of the coordinative bonds M(II)-N are in the range 0,1-1 mdyn/Å. This variability is considered to stem primarly from ligand field effects.

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