Document Detail


Vibrational spectroscopic studies and ab initio calculations of 5-nitro-2-(p-fluorophenyl)benzoxazole.
MedLine Citation:
PMID:  18280784     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
5-Nitro-2-(p-fluorophenyl)benzoxazole was prepared by heating 2-hydroxy-5-nitro aniline with p-fluorobenzoic acid in polyphosphoric acid. The FT-IR spectrum is recorded and analysed. The vibrational frequencies and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted infrared and Raman intensities are reported.
Authors:
Y Sheena Mary; Hema Tresa Varghese; C Yohannan Panicker; Tugba Ertan; Ilkay Yildiz; Ozlem Temiz-Arpaci
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Publication Detail:
Type:  Journal Article     Date:  2008-01-16
Journal Detail:
Title:  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy     Volume:  71     ISSN:  1386-1425     ISO Abbreviation:  Spectrochim Acta A Mol Biomol Spectrosc     Publication Date:  2008 Nov 
Date Detail:
Created Date:  2008-10-28     Completed Date:  2009-01-09     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9602533     Medline TA:  Spectrochim Acta A Mol Biomol Spectrosc     Country:  England    
Other Details:
Languages:  eng     Pagination:  566-71     Citation Subset:  IM    
Affiliation:
Thushara, Neethinagar-64, Pattathanam, Kollam 691021, Kerala, India.
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MeSH Terms
Descriptor/Qualifier:
Benzoxazoles / chemistry*
Computer Simulation
Models, Molecular
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman
Vibration*
Chemical
Reg. No./Substance:
0/5-nitro-2-(4-fluorophenyl)benzoxazole; 0/Benzoxazoles

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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