A theory of vibrational transition frequency shifts due to hydrogen bonding

1986 ◽  
Vol 90 (14) ◽  
pp. 3097-3103 ◽  
Author(s):  
Shi Yi Liu ◽  
Clifford E. Dykstra
1967 ◽  
Vol 32 (9) ◽  
pp. 2803-2806 ◽  
Author(s):  
Eiji Osawa ◽  
Tokinobu Kato ◽  
Zenichi Yoshida

Author(s):  
M. Quack ◽  
J. Stohner

We outline the general theory as well as various approximations to the accurate calculation of vibrational and rotational transition frequency shifts between enantiomers of chiral molecules due to the parity violating weak nuclear interaction. The calculation of the effective parity violating potentials as a function of molecular geometry is mainly based on our recent, accurate Multiconfiguration-Linear Response approach (MC-LR, RPA and CASSCF, Berger and Quack, J. Chem. Phys.


2008 ◽  
Vol 108 (15) ◽  
pp. 2914-2923 ◽  
Author(s):  
Katherine Compaan ◽  
Robert Vergenz ◽  
Paul Von Rague Schleyer ◽  
Isis Arreguin

1988 ◽  
Vol 66 (4) ◽  
pp. 308-315 ◽  
Author(s):  
H. W. Löwen ◽  
H. J. Jodl ◽  
A. Loewenschuss ◽  
H. Däufer

Raman spectra of solid nitrogen and of mixed N2–rare gases (RG-Ar, Kr, Xe) are investigated over a concentration range as wide as allowed by the pertinent experimental conditions. Both the v(N2) and the lattice-mode region are studied. The effects of changes in RG impurity concentrations and temperature variations are described. Results are discussed in terms of "matrix effects," like frequency shifts, on one hand and "solid-state" effects, like resonance splitting of the vibrational transition, vibron–phonon coupling, and one- and two-phonon transitions, on the other.


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