Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp) 2 (p-TS) 2 ]) from decomposition of tosylhydrazone

ÇINARLI, MURAT; Ataol, Çiğdem Yüksektepe; Taş, Murat; Batı, Hümeyra

doi:10.1016/j.molstruc.2018.05.047

Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp) 2 (p-TS) 2 ]) from decomposition of tosylhydrazone

Yazarlar (4)

Doç. Dr. Murat ÇINARLI Kırşehir Ahi Evran Üniversitesi, Türkiye

Çiğdem Yüksektepe Ataol Çankırı Karatekin Üniversitesi, Türkiye

Murat Taş Ondokuz Mayıs Üniversitesi, Türkiye

Hümeyra Batı
Ondokuz Mayıs Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Molecular Structure (Q3)
Dergi ISSN	0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	10-2018
Kabul Tarihi	12-04-2026	Yayınlanma Tarihi	–
Cilt / Sayı / Sayfa	1169 / 1 / 59–67	DOI	10.1016/j.molstruc.2018.05.047
Makale Linki	http://linkinghub.elsevier.com/retrieve/pii/S0022286018306136

Özet

(3-ptp) and (p-TS) compounds are formed by decomposition of the tosylhydrazone ligand (LH). A mechanism for the decomposition of tosylhydrazone is proposed. The compounds formed by the decomposition coordinated to Cu(II) and its octahedral complex is formed. The single-crystal X-ray structure of the [Cu(3-ptp)2(p-TS)2] complex is reported by X-ray diffraction method and it is characterized by 1H NMR technique. The [Cu(3-ptp)2(p-TS)2] complex is monoclinic crystal system and P 21 space group and contains two molecules in the unit cell (Z = 2, a = 8.09750(10) Å, b = 24.1689(4) Å, c = 8.9547(2) Å, β = 98.4070(10)°). In addition to the experimental X-ray analysis of the complex, the molecular structure of the complex was studied theoretically by using DFT of the computational chemistry methods. The complex is optimized with the B3LYP/6–31G method. In addition, molecular electrostatic potential …

Anahtar Kelimeler

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Google Scholar	19
Scopus	2
Web of Science	16

Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp) 2 (p-TS) 2 ]) from decomposition of tosylhydrazone

Dergi Adı	Journal of Molecular Structure
Yayıncı	Elsevier B.V.
Açık Erişim	Hayır
ISSN	0022-2860
E-ISSN	1872-8014
CiteScore	8,0
SJR	0,628
SNIP	0,999

Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp) 2 (p-TS) 2 ]) from decomposition of tosylhydrazone

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