Mean amplitudes of vibration and coriolis coupling constants of some XY3Z type silicon compounds

1968 ◽  
Vol 67 (2) ◽  
pp. 71-77
Author(s):  
K. Venkateswarlu ◽  
V. Malathy Devi
Keyword(s):  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration ◽  
Silicon Compounds ◽  
Type Silicon

Kraftkonstanten, mittlere Schwingungsamplituden, Coriolis-Kopplungskonstanten und thermodynamische Funktionen der Moleküle WOCl4 und WOBr4 / Force Constants, Mean Amplitudes, Coriolis Coupling Constants, Thermodynamic Functions, WOCl4 , WOBr4

1974 ◽  
Vol 29 (4) ◽  
pp. 620-623 ◽  
Author(s):  
W. Brockner ◽  
H. Hovdan ◽  
S. J. Cyvin
Keyword(s):  
Thermodynamic Functions ◽  
Ideal Gas ◽  
Force Constants ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration ◽  
Amplitude Correction ◽  
Different Temperatures ◽  
Harmonic Oscillator Approximation ◽  
The Mean

A normal co-ordinate analysis of the molecules W 0Cl4 and WOBr4 has been carried out following W ilson’s FG matrix method. Valence force constants based on known (WOCl4) and estimated (WOBr4) molecular parameters have been evaluated. The results support the assignment of the known Raman spectra of W0Cl4 . Also the mean amplitudes of vibration and the perpendicular amplitude correction coefficients K have been computed for the temperatures T = 0 and T = 298 °K. Furthermore the Coriolis coupling constants of the ζz(EaxEb)- type have been determined. Some thermodynamic functions have also been calculated for an ideal gas state at one atmosphere pressure and different temperatures using the rigid rotor harmonic oscillator approximation.

On the Applicability of Redington's Method of Determination of Force Field to Bent XYZ Type Systems

1979 ◽  
Vol 34 (6) ◽  
pp. 716-720 ◽  
Author(s):  
R. Namasivayam ◽  
S. Mayilavelan
Keyword(s):  
Type Systems ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Centrifugal Distortion ◽  
Molecular Constants ◽  
Mean Amplitudes Of Vibration ◽  
Method Of Determination ◽  
Point Solution ◽  
Centrifugal Distortion Constants

Abstract Force fields of NSF, NSCl, NSBr, SSO, HCO, HOF, HOCl, HOBr and HOI have been computed using Redington’s method. The angle parameters φ12, φ13 and φ23 are fixed through Fsteep critical point solution. The parametrised eigenvector matrices obtained are found to possess the properties predicted by Peacock et al. Mean amplitudes of vibration, Coriolis coupling constants, inertia defects and centrifugal distortion constants have also been calculated and compared with literature values. Redington’s approach is found to reproduce all the molecular constants with accuracies comparable with conventional methods.

scholarly journals Mean Amplitudes of Vibration, Force Constants and Coriolis Coupling Constants of ZXY2(C2v) and ZXY3(C3v) Type Molecules and Ions

1968 ◽  
Vol 23 (10) ◽  
pp. 1656-1660 ◽  
Author(s):  
A. Müller ◽  
B. Krebs ◽  
A. Fadini ◽  
O. Glemser ◽  
S. J. Cyvin ◽  
...  
Keyword(s):  
Force Constants ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration

For a large number of ZXY3(C3v) and ZXY2(C2v) molecules and ions symmetry force constants, mean amplitudes of vibration for bonded and nonbonded distances and Coriolis coupling constantshave been calculated.

Schwingungsspektren und Normalkoordinatenanalyse des P2Se64–-Anions in den konformeren staggered- und eclipsed-Anordnungen in TL4P2Se6und Na4P2Se6

1986 ◽  
Vol 41 (10) ◽  
pp. 1233-1237 ◽  
Author(s):  
M. Parensen ◽  
W. Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Vibrational Spectroscopy ◽  
Field Potential ◽  
Coupling Constants ◽  
Potential Energy Distribution ◽  
Coriolis Coupling ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration

Na4P2Se6 has been prepared by elemental synthesis at high temperatures and characterized by vibrational spectroscopy. The vibrational frequencies of Na4P2Se6 are assigned on the basis of eclipsed P2Se64- conformers with D3h symmetry, those of Tl4P2Se6 on the basis of staggered P2Se64- units with D3d symmetry. A normal coordinate analysis has been performed for both conformers. The refined force field, potential energy distribution (PED), mean amplitudes of vibration an Coriolis coupling constants are given.

Mean Amplitudes of Vibration and Coriolis Coupling Constants for Methyl Silyl Acetylene

1971 ◽  
Vol 26 (12) ◽  
pp. 2062-2063
Author(s):  
V. Devarajan
Keyword(s):  
Torsional Vibration ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Mean Amplitudes Of Vibration ◽  
First Order ◽  
Methyl Silyl

Mean amplitudes of vibration, Bastiansen-Morino linear shrinkages and the most important first order Coriolis coupling constants have been calculated for the molecule Methyl Silyl Acetylene. The effect of torsional vibration on the nonbonded mean amplitudes has also been investigated

Schwingungsberechnungen der käfigstrukturierten Molekülionen P73-, AS73- und Sb73-

1986 ◽  
Vol 41 (3) ◽  
pp. 549-552 ◽  
Author(s):  
B. N. Cyvin ◽  
S. J. Cyvin ◽  
M. Somer ◽  
W. Brockner
Keyword(s):  
Force Field ◽  
Coupling Constants ◽  
Potential Energy Distribution ◽  
Coriolis Coupling ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
First Order ◽  
The Mean ◽  
Title Molecule ◽  
Initial Force

Normal coordinate analyses for the cage-like molecule ions P73-, As73- and Sb73- with C3 symmetry were performed, based on a very simple initial force field with three numerical parameters transferred from P4S3. FIR frequencies of Sb73- have been recorded. The force field was refined by adjusting the symmetry force constants to fit the observed frequencies. The final force fields were used to calculate the potential energy distribution terms (PED), the mean amplitudes of vibration and the first-order Coriolis coupling constants for the title molecule ions.

Vibrational Analysis of SnCl4N and SnBr4N

1981 ◽  
Vol 36 (6) ◽  
pp. 630-633
Author(s):  
V. Sengodan ◽  
K. G. Srinivasacharya
Keyword(s):  
Secular Equation ◽  
Vibrational Analysis ◽  
Force Constants ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Centrifugal Distortion ◽  
Molecular Constants ◽  
Mean Amplitudes Of Vibration ◽  
Experimental Values ◽  
Centrifugal Distortion Constants

Abstract The kinetic constants method is applied to evaluate a fresh set of force constants in case of SnCl4N and SnBr4N, using recent vibrational frequencies. Certain simplifying considerations involving molecular dynamics are made use of in solving the secular equation. The calculated kinetic and force constants are utilised to evaluate other molecular constants, namely mean amplitudes of vibration, Coriolis coupling constants and centrifugal distortion constants. The calculated mean amplitudes of vibration of the Sn-Br bond (SnBr4N) are within the range of the available experimental values (SnBr4)

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