A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine

Atalay, Yusuf

dc.contributor.authors	Yakuphanoglu, F; Atalay, Y; Sekerci, M;
dc.date.accessioned	2020-01-20T08:02:54Z
dc.date.available	2020-01-20T08:02:54Z
dc.date.issued	2007
dc.identifier.citation	Yakuphanoglu, F; Atalay, Y; Sekerci, M; (2007). A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 66, 441-438
dc.identifier.issn	1386-1425
dc.identifier.uri	https://hdl.handle.net/20.500.12619/32362
dc.identifier.uri	https://doi.org/10.1016/j.saa.2006.03.019
dc.description.abstract	The molecular geometry and vibrational frequencies of N-phenyl-AP-(2-thienyimethylene)hydrazine (C11H10N2S) have been calculated using Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis set. The optimized geometric bond lengths and angles obtained using HF and DFr (B3LYP) are in agreement with the experimental data. B3LYP method seems to be appropriate than HF method for the calculation of vibrational frequencies and geometrical parameters of the (C11H10N2S) compound. (c) 2006 Elsevier B.V. All rights reserved.
dc.language	English
dc.publisher	PERGAMON-ELSEVIER SCIENCE LTD
dc.subject	Spectroscopy
dc.title	A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine
dc.type	Article
dc.identifier.volume	66
dc.identifier.startpage	438
dc.identifier.endpage	441
dc.contributor.department	Sakarya Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü
dc.contributor.saüauthor	Atalay, Yusuf
dc.relation.journal	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
dc.identifier.wos	WOS:000243775500034
dc.identifier.doi	10.1016/j.saa.2006.03.019
dc.contributor.author	Atalay, Yusuf