Dipole moments of highly vibrationally excited HCN: Theoretical prediction of an experimental diagnostic for delocalized states

2001 ◽  
Vol 114 (18) ◽  
pp. 7923-7934 ◽  
Author(s):  
Joel M. Bowman ◽  
Stephan Irle ◽  
Keiji Morokuma ◽  
Alec Wodtke
Keyword(s):  
Theoretical Prediction ◽  
Dipole Moments ◽  
Vibrationally Excited

Dipole Moments of Highly Vibrationally Excited Water

Science ◽  
2002 ◽  
Vol 297 (5583) ◽  
pp. 993-995 ◽  
Author(s):  
A. Callegari
Keyword(s):  
Dipole Moments ◽  
Vibrationally Excited

Preferred Rotameric Conformations of Isobutyraldehyde, Their Dipole Moments and Vibrationally Excited States by Microwave Spectroscopy

1986 ◽  
Vol 41 (3) ◽  
pp. 483-490 ◽  
Author(s):  
O. L. Stiefvater
Keyword(s):  
Oxygen Atom ◽  
Excited States ◽  
Ground State ◽  
Dipole Moments ◽  
Microwave Spectroscopy ◽  
Centrifugal Distortion ◽  
Gauche Conformation ◽  
Vibrationally Excited ◽  
Trans Conformation ◽  
Centrifugal Distortion Constants

The earlier prediction of the preferred and the less stable rotameric conformations of isobutyraldehyde, (CH3)2CHCHO, has been confirmed experimentally by microwave spectroscopy. The compound exists mainly in a gauche conformation, in which one of the methyl groups is eclipsed by the oxygen atom, and the less stable rotamer is the trans conformation, in which the oxygen atom eclipses the isopropyl hydrogen.Ground state rotational constants (in MHz) and centrifugal distortion constants (in kHz), together with dipole moments (in D), are:Rotation spectra due to three torsionally excited states of each rotamer have been identified, along with satellites arising from CH3 internal rotation and CC2 wagging.

Dipole moments and tautomeric equilibria of some aroylacetanilides

1981 ◽  
Vol 78 ◽  
pp. 155-159 ◽  
Author(s):  
Magdi M. Naoum ◽  
Hakim G. Shinouda ◽  
Ahmed S. Shawali ◽  
Hanna A. Rizk
Keyword(s):  
Dipole Moments ◽  
Tautomeric Equilibria
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