| Vibrational spectroscopic studies and ab initio calculations of 5-nitro-2-(p-fluorophenyl)benzoxazole. | |
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MedLine Citation:
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PMID: 18280784 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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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. |
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Authors:
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Y Sheena Mary; Hema Tresa Varghese; C Yohannan Panicker; Tugba Ertan; Ilkay Yildiz; Ozlem Temiz-Arpaci |
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Publication Detail:
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Type: Journal Article Date: 2008-01-16 |
Journal Detail:
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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:
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Created Date: 2008-10-28 Completed Date: 2009-01-09 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9602533 Medline TA: Spectrochim Acta A Mol Biomol Spectrosc Country: England |
Other Details:
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Languages: eng Pagination: 566-71 Citation Subset: IM |
Affiliation:
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Thushara, Neethinagar-64, Pattathanam, Kollam 691021, Kerala, India. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Benzoxazoles
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chemistry* Computer Simulation Models, Molecular Spectroscopy, Fourier Transform Infrared Spectrum Analysis, Raman Vibration* |
| Chemical | |
Reg. No./Substance:
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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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