Molecular structure and computational studies on 2 2 4 3 2 5 dimethylphenyl 3 methylcyclobutyl thiazol 2 yl hydrazono methyl phenol monomer and dimer by DFT calculations
Yazarlar (4)
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
Alaaddin Çukurovalı Fırat Üniversitesi, Türkiye
Dr. Öğr. Üyesi Nuriye Tuna SUBAŞI Kırşehir Ahi Evran Üniversitesi, Türkiye
İbrahim Kani Anadolu Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 07-2016
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 1125 / 1 / 433–442 DOI 10.1016/j.molstruc.2016.07.009
Özet
The title compound, 2-((2-(4-(3-(2,5-Dimethylphenyl)-3-methylcyclobutyl)thiazol-2-yl)hydrazono)methyl)phenol, was characterized by single-crystal X-ray diffraction. In order to calculate molecular geometry along with the infrared, Atoms in Molecules (AIM) analysis and 1H and 13C NMR chemical shift values, the density functional theory (DFT) method...
Anahtar Kelimeler
AIM | Antitumor agent | IR and NMR spectroscopy | NLO | X-ray diffraction