Molecular structure and vibrational and chemical shift assignments of (4R)-5-eno-4,7-epidioxy-3,7-O-methyl-1,2-O-(S)-trichloroethylidene-5,6,8-trideoxy-α-D-threo-1,4-furano-4,7-diulo-octose by DFT and ab initio HF calculations
Yazarlar (3)
Prof. Dr. Tuncay KARAKURT Kırşehir Ahi Evran Üniversitesi, Türkiye
M. Dinçer
Ondokuz Mayis Üniversitesi, Türkiye
F. Çetin
Ege Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Structural Chemistry
Dergi ISSN 0022-4766 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2015
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 56 / 5 / 887–899 DOI 10.1134/S0022476615050108
Makale Linki http://link.springer.com/10.1134/S0022476615050108
Özet
Elemental analyses, single crystal X-ray diffraction method, and 1H and 13C NMR spectral techniques are
used to synthesize and characterize the crystal structure of 4-diethylamino-2-{[4-(3-methyl-3-phenylcyclobutyl)-
thiazol-2-yl]-hydrazonomethyl}-phenol. In order to calculate the molecular geometry along
with vibrational frequencies and the gauge...
Anahtar Kelimeler
1H and 13C NMR | DFT | GIAO | HF | IR spectra | vibrational assignment | X-ray structure determination