A rigid rod normal coordinate analysis, and van der Waals force field of acetylene–HCl

1984 ◽  
Vol 81 (12) ◽  
pp. 5521-5526 ◽  
Author(s):  
Rebecca Lee ◽  
Giles Henderson
Keyword(s):  
Force Field ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Rigid Rod

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.

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.

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