Quantum dynamics of overtone relaxation in 30-mode benzene: A time-dependent local mode analysis for CH(ν=2)

1999 ◽  
Vol 110 (7) ◽  
pp. 3326-3334 ◽  
Author(s):  
Todd J. Minehardt ◽  
J. David Adcock ◽  
Robert E. Wyatt
Keyword(s):  
Quantum Dynamics ◽  
Time Dependent ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Mode Analysis

High resolution spectroscopic study of H2 Se (40+,0) A1 and (40-,0) B2 stretching states: normal mode and local mode analysis

1997 ◽  
Vol 92 (6) ◽  
pp. 1073-1082 ◽  
Author(s):  
By ZE-YI ZHOU ◽  
XIAO-GANG WANG ◽  
ZHONG-PING ZHOU ◽  
OLEG N. ULENIKOV ◽  
GALINA A. ONOPENKO ◽  
...  
Keyword(s):  
High Resolution ◽  
Spectroscopic Study ◽  
Normal Mode ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Mode Analysis

Single crystal polarized spectra in the near-infrared region: a local-mode analysis of the spectra of CsMnCl3•2X2O (X = H, D)

1994 ◽  
Vol 72 (5) ◽  
pp. 1211-1217 ◽  
Author(s):  
Ian M. Walker ◽  
Paul J. McCarthy
Keyword(s):  
Hydrogen Bond ◽  
Near Infrared ◽  
Infrared Region ◽  
Chloride Ions ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Modes ◽  
Near Infrared Spectra ◽  
Parameter Values ◽  
Local Mode Analysis

Polarized near-infrared spectra of single crystals of CsMnCl3•2X2O (X = H, D) were recorded at 10 K. Those bands which could be assigned to O—H or O—D stretch overtones were analyzed using local-mode theory specifically adapted for systems having less than C2v symmetry. Both O—H oscillators form nearly linear hydrogen bonds to neighboring chloride ions at different distances. As a result, the local-mode harmonic frequency and anharmonicity parameters show characteristic shifts from their gas-phase values. The parameter values cover an unusually narrow range in this crystal, considering the spread in hydrogen-bond distances. Assignment of stretch overtone bands to specific oscillators in the crystal was made by using the polarization behavior expected of local modes in the oriented gas model. Several of the overtone bands show combinations with lattice modes or low-energy hydrogen-bond modes in unusual detail.

Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details

2017 ◽  
Vol 121 (15) ◽  
pp. 3483-3492 ◽  
Author(s):  
M. Massarczyk ◽  
T. Rudack ◽  
J. Schlitter ◽  
J. Kuhne ◽  
C. Kötting ◽  
...  
Keyword(s):  
Ir Spectra ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Mode Analysis

Refined local mode analysis of the stretching vibrational levels of C2D2

2001 ◽  
Vol 99 (15) ◽  
pp. 1303-1309 ◽  
Author(s):  
SHENGFU YANG ◽  
LAURI HALONEN ◽  
ALAIN CAMPARGUE
Keyword(s):  
Mode Analysis ◽  
Local Mode ◽  
Vibrational Levels ◽  
Local Mode Analysis
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