scholarly journals Force Constants, Normal Modes and Potential Energy Distribution of Formate and Deutero-Formate Ions

1956 ◽  
Vol 77 (2) ◽  
pp. 381-385 ◽  
Author(s):  
Tatsuo Miyazawa
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Normal Modes ◽  
Force Constants ◽  
Potential Energy Distribution

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−.

Schwingungsberechnungen des Hexathiometadiphosphatanions P2S62-

1988 ◽  
Vol 43 (5) ◽  
pp. 494-496 ◽  
Author(s):  
Lothar Ohse ◽  
Wolfgang Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Field Potential ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Mean Amplitudes Of Vibration ◽  
Initial Force

A normal coordinate analysis for the Hexathiometadiphosphate anion P2S62- was performed, based on a simple initial force field. The force field was refined by adjusting the symmetry force constants to approximate the observed frequencies. The final force field, potential energy distribution (PED) and mean amplitudes of vibration are also given. Based on the normal coordinate analysis a new assignment of the P2S62- frequencies is proposed.

Vibrations of a Cage-like Molecule, P4S3: Some Theoretical Aspects

1981 ◽  
Vol 36 (7) ◽  
pp. 774-777 ◽  
Author(s):  
S. J. Cyvin ◽  
B. N. Cyvin ◽  
M. Somer ◽  
W. Brockner
Keyword(s):  
Potential Energy ◽  
Energy Distribution ◽  
Force Field ◽  
Normal Modes ◽  
Potential Energy Distribution ◽  
Symmetry Coordinates ◽  
Method Of Fragments ◽  
Compliance Matrices

Abstract Two independent symmetry coordinate sets for P4S3 are developed, starting from the "method of fragments". A simple, approximate force field is expressed in terms of the two sets of symmetry coordinates, and the corresponding compliance matrices are given. The invariance of compliants is demonstrated. The potential energy distribution (PED) is discussed. An example is shown where the PED terms are clearly inadequate for the description of normal modes. A general warning against the interpretation of the PED in terms of such descriptions for cage-like structures seems to be warranted. V ib r a tio n s o f a C a g e -lik e M o le c u le , P 4S3 : S o m e T h e o r e tic a l A sp e c ts

Vibrational Spectra of bis-(Maleonitrile Dithiolato)Ni(ii) Anion

1971 ◽  
Vol 25 (2) ◽  
pp. 207-211 ◽  
Author(s):  
Lakshmi P. Bhaskara Rao ◽  
Umesh Agarwala
Keyword(s):  
Double Bond ◽  
Potential Energy ◽  
Energy Distribution ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Double Bond Character ◽  
Plane Normal ◽  
Bond Character

The in-plane normal modes of bis-(maleonitriledithiolato)Ni(ii) anion have been assigned on the basis of the normal coordinate analysis. The potential energy distribution among various internal coordinates indicates a large amount of vibrational mixing. The value of K (C–S) suggests a considerable amount of double bond character.

Potential Energy Distribution Study Of Beta Asarone and its Vibrational Spectrum and Force Constants

2021 ◽  
Vol 23 (09) ◽  
pp. 959-966
Author(s):  
M.B. Bindu ◽  
◽  
Linu Sam ◽  
Amrutha R ◽  
◽  
...  
Keyword(s):  
Potential Energy ◽  
Vibrational Spectrum ◽  
Energy Distribution ◽  
Force Constants ◽  
Potential Energy Distribution ◽  
Vibrational Assignments ◽  
Distribution Study ◽  
Title Molecule

The PED assignments are analysed for the title molecule. The Force Constants and Reduced masses are presented for reference. Vibrational assignments are made to the title molecule Beta Asarone. .The analysis of Vibrational Assignments is done with an intention to deduce the various properties of Beta Asarone that should aid in analysing the reported toxicity of Beta Asarone.

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