Diffuseness of the vibrational absorption spectra of polyatomic molecules due to sequence congestion of the vibrational levels

1976 ◽  
Vol 25 (6) ◽  
pp. 1535-1541
Author(s):  
S. O. Mirumyants ◽  
Yu. S. Demchuk
Keyword(s):  
Absorption Spectra ◽  
Polyatomic Molecules ◽  
Vibrational Absorption ◽  
Vibrational Levels

Vibrational analysis of the low resolution absorption spectra of BrClCS and Br2CS

1988 ◽  
Vol 66 (3) ◽  
pp. 359-366 ◽  
Author(s):  
B. Simard ◽  
R. P. Steer ◽  
R. H. Judge ◽  
D. C. Moule
Keyword(s):  
Absorption Spectra ◽  
Room Temperature ◽  
Vibrational Analysis ◽  
Vibrational Frequencies ◽  
Low Resolution ◽  
Barrier Heights ◽  
Vibrational Levels ◽  
Out Of Plane ◽  
The Given

The [Formula: see text] absorption spectra of BrClCS and Br2CS have been photographed under low resolution at room temperature. The electronic origins of BrClCS and Br2CS have been placed at 17116 and 16859 cm−1, respectively. Vibronic analyses show that the molecules are non-planar in their ā states. By fitting quadratic–Gaussian and quadratic–quartic double-minimum potentials to the observed vibrational levels of the out-of-plane manifolds, the equilibrium out-of-plane angles and the barrier heights to molecular inversion have been estimated to be 25 ± 1 deg and 541 ± 10 cm−1 for BrClCS, and 17.5 ± 1 deg and 524 ± 10 cm−1 for Br2CS. In the case of BrClCS, all six ā state vibrational frequencies have been obtained. In the case of Br2CS, only modes 1 (C—S stretch), 2 (symmetric C—Br stretch), 3 (in-plane Br—C—Br scissor), and 4 (out-of-plane bend) are active in the spectrum. Comparisons with other tetraatomic thiocarbonyls support the given assignments.

scholarly journals Electronic and Vibrational Absorption Spectra of NH2 in Solid Ne

ACS Omega ◽  
2019 ◽  
Vol 4 (1) ◽  
pp. 2268-2274 ◽  
Author(s):  
Sheng-Lung Chou ◽  
Jen-Iu Lo ◽  
Yu-Chain Peng ◽  
Hsiao-Chi Lu ◽  
Bing-Ming Cheng
Keyword(s):  
Absorption Spectra ◽  
Vibrational Absorption

Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method

2010 ◽  
Vol 132 (16) ◽  
pp. 164105 ◽  
Author(s):  
Peter Seidler ◽  
Mikkel Bo Hansen ◽  
Werner Győrffy ◽  
Daniele Toffoli ◽  
Ove Christiansen
Keyword(s):  
Absorption Spectra ◽  
Configuration Interaction ◽  
Lanczos Method ◽  
Response Theory ◽  
Vibrational Absorption

Electronic and vibrational absorption spectra in otwayite, a new nickel mineral

1986 ◽  
Vol 115 (4) ◽  
pp. 182-186 ◽  
Author(s):  
K.M. Reddy ◽  
A.S. Jacob ◽  
B.J. Reddy
Keyword(s):  
Absorption Spectra ◽  
Vibrational Absorption
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