Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole

Publication typeJournal Article
Publication date2015-01-01
scimago Q2
wos Q1
SJR0.664
CiteScore8.5
Impact factor4.6
ISSN13861425, 18733557
Spectroscopy
Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Abstract
In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, (1)H NMR, (13)C-APT and LC-MS spectroscopy techniques. The FT-IR, (1)H NMR and (13)C-APT spectral measurements of the 5B1C1HT compound and complete assignment of the vibrational bands observed in spectra has been discussed. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on Density Functional Theory (DFT) at 6-311++G(**), cc-pVDZ and cc-pVTZ basis sets. The optimized geometry with 6-311++G(**) basis sets were used to determine the total energy distribution, harmonic vibrational frequencies, IR intensities.
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GOST Copy
Saglam S. et al. Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole // Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2015. Vol. 135. pp. 1011-1018.
GOST all authors (up to 50) Copy
Saglam S., Disli A., Erdogdu Y., Marchewka M. K., Kanagathara N., Bay B., Güllüoğlu M. T. Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole // Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2015. Vol. 135. pp. 1011-1018.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1016/j.saa.2014.07.071
UR - https://doi.org/10.1016/j.saa.2014.07.071
TI - Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole
T2 - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
AU - Saglam, S.
AU - Disli, A
AU - Erdogdu, Y.
AU - Marchewka, M. K.
AU - Kanagathara, N.
AU - Bay, B.
AU - Güllüoğlu, M T
PY - 2015
DA - 2015/01/01
PB - Elsevier
SP - 1011-1018
VL - 135
PMID - 25171051
SN - 1386-1425
SN - 1873-3557
ER -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@article{2015_Saglam,
author = {S. Saglam and A Disli and Y. Erdogdu and M. K. Marchewka and N. Kanagathara and B. Bay and M T Güllüoğlu},
title = {Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole},
journal = {Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy},
year = {2015},
volume = {135},
publisher = {Elsevier},
month = {jan},
url = {https://doi.org/10.1016/j.saa.2014.07.071},
pages = {1011--1018},
doi = {10.1016/j.saa.2014.07.071}
}