Experimental and computational studies of [N-(2-hydroxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide]nickel(II)

ÖZTÜRK, NURAY; Ataol, Yüksektepe; Güntepe, F.; Bati, H.; Taş, M.

doi:10.1134/S1070328416060063

Experimental and computational studies of [N-(2-hydroxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide]nickel(II)

Yazarlar (5)

Öğr. Gör. Nuray ÖZTÜRK Ondokuz Mayis Üniversitesi, Türkiye

Yüksektepe Ataol Çankiri Karatekin Üniversitesi, Türkiye

F. Güntepe
Ondokuz Mayis Üniversitesi, Türkiye

H. Bati
Ondokuz Mayis Üniversitesi, Türkiye

M. Taş
Ondokuz Mayis Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Russian Journal of Coordination Chemistry Koordinatsionnaya Khimiya (Q4)
Dergi ISSN	1070-3284 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	Türkçe	Basım Tarihi	06-2016
Cilt / Sayı / Sayfa	42 / 6 / 392–401	DOI	10.1134/S1070328416060063
Makale Linki	https://doi.org/10.1134/s1070328416060063
UAK Araştırma Alanları	Anorganik Kimya Spektroskopi Teorik Kimya

Özet

Mononuclear Ni(II) complex (C30H30NiN4O8S2) (I) has been obtained with 1: 2 metal/ligand ratio and characterized by single crystal X-ray diffraction (CIF file CCDC no. 1040830), IR, UV-Vis spectroscopic techniques and DFT. X-ray results show that complex I crystallizes in the monoclinic system, space group P21/n with four molecules in the unit cell. In structure I, the coordination around Ni atom is distorted square planar. In addition to the crystal structure, the molecular geometry, vibrational frequencies, molecular electrostatic potential, and frontier molecular orbital analysis of compound I in the ground state have been calculated using the B3LYP/6-311G and B3LYP/3-21G methods. The computed vibrational frequencies are used to determine the types of molecular motions associated with each of the observed experimental bands.

Anahtar Kelimeler

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Scopus	4

Experimental and computational studies of [N-(2-hydroxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide]nickel(II)

Dergi Adı	RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
Yayıncı	Pleiades Publishing
Açık Erişim	Hayır
ISSN	1070-3284
E-ISSN	1608-3318
CiteScore	1,7
SJR	0,189
SNIP	0,313

Experimental and computational studies of [N-(2-hydroxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide]nickel(II)

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