Synthesis, Spectroscopic and Computational Analysis of 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]-phenyl Naphthalene-2-sulfonate

Kotan, G.; Gökce, H.; AKYILDIRIM, ONUR; Yüksek, H.; BEYTUR, MURAT; Manap, S.; Medetalibeyoğlu, H.

doi:10.1134/S1070428020110135

Synthesis, Spectroscopic and Computational Analysis of 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]-phenyl Naphthalene-2-sulfonate

Yazarlar (7)

G. Kotan
Kafkas Üniversitesi, Türkiye

H. Gökce
Giresun Üniversitesi, Türkiye

Doç. Dr. Onur AKYILDIRIM Kafkas Üniversitesi, Türkiye

H. Yüksek
Kafkas Üniversitesi, Türkiye

Doç. Dr. Murat BEYTUR Kafkas Üniversitesi, Türkiye

S. Manap
Kafkas Üniversitesi, Türkiye

H. Medetalibeyoğlu
Kafkas Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Russian Journal of Organic Chemistry
Dergi ISSN	1070-4280 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	12-2020
Kabul Tarihi	09-05-2020	Yayınlanma Tarihi	01-11-2020
Cilt / Sayı / Sayfa	56 / 11 / 1982–1994	DOI	10.1134/S1070428020110135
Makale Linki	http://link.springer.com/10.1134/S1070428020110135
UAK Araştırma Alanları	Organik Kimya

Özet

2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]phenyl naphthalene-2-sulfonate was obtained as a result of the reactions of 5-amino-2-sulfanylbenzimidazole with 2-(2-naphthylsulfonyloxy)benzaldehyde. The newly synthesized compound was characterized using IR, 1H and 13C NMR spectroscopy. Theoretical investigations of the thione–thiol tautomerism of the molecule were performed using DFT/ B3LYP calculations with the 6-311++G(d,p) basis set. The NMR chemical shifts were calculated by the gauge-invariant atomic orbital (GIAO) method and compared with the experimental data. Additionally, the frontier molecular orbital (HOMO-LUMO), MEP, and NLO analyses were performed for the optimized structure. The NLO analysis showed that the thiol form of the molecule is more stable than the thione form and is a good non-linear optical compound.

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Atıf Sayıları
Web of Science	13
Scopus	24
Google Scholar	33

Synthesis, Spectroscopic and Computational Analysis of 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]-phenyl Naphthalene-2-sulfonate

Dergi Adı	RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
Yayıncı	Pleiades Publishing
Açık Erişim	Hayır
ISSN	1070-4280
E-ISSN	1608-3393
CiteScore	1,3
SJR	0,190
SNIP	0,341

Synthesis, Spectroscopic and Computational Analysis of 2-[(2-Sulfanyl-1H-benzo[d]imidazol-5-yl)iminomethyl]-phenyl Naphthalene-2-sulfonate

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