NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES
| contributor author | بی بی امینه امیدوار | en |
| contributor author | محمد وکیلی | en |
| contributor author | سیدفرامرز طیاری | en |
| contributor author | be be amineh omidvar | fa |
| contributor author | Mohamad Vakili | fa |
| contributor author | Sayyed Faramarz Tayyari | fa |
| date accessioned | 2020-06-06T14:21:19Z | |
| date available | 2020-06-06T14:21:19Z | |
| date copyright | 3/5/2016 | |
| date issued | 2016 | |
| identifier uri | https://libsearch.um.ac.ir:443/fum/handle/fum/3393156?show=full | |
| description abstract | Pyridine and its derivative compounds have been extensively studied from the spectroscopic point of view, mainly due to its presence in many chemicals of high interest in a variety of biomedical and industrial fields. The vibrational spectra of pyridine and its derivatives have been considered by several groups [1-13] and many discrepancies have been reported. The aim of the present work is a new normal coordinate analysis based on the B3LYP/6-311++G** calculation to shed light on the discrepancies between reported assignments. In addition, to make an unambiguous assignment, anharmonic vibrational frequencies were also calculated at the same level of theory. | en |
| language | English | |
| title | NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES | en |
| type | Conference Paper | |
| contenttype | External Fulltext | |
| subject keywords | NORMAL COORDINATE ANALYSIS | en |
| subject keywords | VIBRATIONAL ASSIGNMENTS | en |
| subject keywords | PYRIDINE | en |
| identifier link | https://profdoc.um.ac.ir/paper-abstract-1055458.html | |
| conference title | 18th Iranian Physical Chemistry Conference | en |
| conference location | کیش | fa |
| identifier articleid | 1055458 |
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