Infrared, Raman and temperature-dependent NMR spectra, vibrational assignments, normal coordinate analysis, and DFT calculations of benzoxazoline-2-thione

2010 ◽  
Vol 52 (2) ◽  
pp. 128-136 ◽  
Author(s):  
Tarek A. Mohamed ◽  
Ahmed M. Mustafa ◽  
Wajdi M. Zoghaib ◽  
Mahmoud S. Afifi ◽  
Rabei S. Farag ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Nmr Spectra ◽  
Normal Coordinate Analysis ◽  
Temperature Dependent ◽  
Normal Coordinate ◽  
Vibrational Assignments

Tautomerism, normal coordinate analysis, vibrational assignments, calculated IR, Raman and NMR spectra of adenine

2009 ◽  
Vol 938 (1-3) ◽  
pp. 263-276 ◽  
Author(s):  
Tarek A. Mohamed ◽  
Ibrahim A. Shabaan ◽  
Wajdi M. Zoghaib ◽  
John Husband ◽  
Rabei S. Farag ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Vibrational Assignments

Laser Raman Spectra and Normal Coordinate Analysis of Some Uranyl Tetrachloride Complexes

1980 ◽  
Vol 34 (3) ◽  
pp. 327-331 ◽  
Author(s):  
Ken Ohwada
Keyword(s):  
Raman Spectra ◽  
Point Group ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Normal Coordinate ◽  
Magic Formula ◽  
Vibrational Assignments ◽  
Laser Raman ◽  
Laser Raman Spectra ◽  
Group D

Laser Raman spectra of uranyl tetrachloride complexes [K2UO2Cl4, Rb2UO2Cl4, Cs2UO2Cl4, (NH4)2UO2Cl4] have been measured in the region from 3500 to 10 cm−1. Vibrational assignments as well as normal coordinate analyses have been carried out with the assumption that all the complexes contain discrete (UO2Cl4)2− ions belonging to a point group D4h. To understand the nature of the uranyl bonds in the complexes, approximate π-bonding energies of such bonds have been estimated from the U—O stretching force constants. The reliability of the values obtained are discussed in detail on the basis of Mulliken's magic formula.

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