,
volume 69
,
issue 4
,
pages 1252-1256
Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine
Publication type: Journal Article
Publication date: 2008-04-01
scimago Q2
wos Q1
SJR: 0.664
CiteScore: 8.5
Impact factor: 4.6
ISSN: 13861425, 18733557
PubMed ID:
17716939
Spectroscopy
Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Abstract
(1)H, (13)C, DEPT, COSY, NOESY and HETCOR NMR spectra of 4-(3-cyclohexen-1-yl)pyridine (4-Chpy) have been reported for the first time. (1)H and (13)C NMR chemical shifts of 4-Chpy (C(11)H(13)N) have been calculated by means of the Hartree-Fock (HF) and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-311++G(d,p) basis set. Comparison between the experimental and the theoretical results indicate that density functional B3LYP method is superior to the scaled HF approach for predicting NMR properties.
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Parlak C., Alver Ö., Şenyel M. Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine // Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2008. Vol. 69. No. 4. pp. 1252-1256.
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Parlak C., Alver Ö., Şenyel M. Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine // Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2008. Vol. 69. No. 4. pp. 1252-1256.
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RIS
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TY - JOUR
DO - 10.1016/j.saa.2007.07.011
UR - https://doi.org/10.1016/j.saa.2007.07.011
TI - Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine
T2 - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
AU - Parlak, Cemal
AU - Alver, Özgür
AU - Şenyel, Mustafa
PY - 2008
DA - 2008/04/01
PB - Elsevier
SP - 1252-1256
IS - 4
VL - 69
PMID - 17716939
SN - 1386-1425
SN - 1873-3557
ER -
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BibTex (up to 50 authors)
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@article{2008_Parlak,
author = {Cemal Parlak and Özgür Alver and Mustafa Şenyel},
title = {Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine},
journal = {Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy},
year = {2008},
volume = {69},
publisher = {Elsevier},
month = {apr},
url = {https://doi.org/10.1016/j.saa.2007.07.011},
number = {4},
pages = {1252--1256},
doi = {10.1016/j.saa.2007.07.011}
}
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MLA
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Parlak, Cemal, et al. “Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine.” Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, vol. 69, no. 4, Apr. 2008, pp. 1252-1256. https://doi.org/10.1016/j.saa.2007.07.011.