Molecular Structure and Vibrational Spectra of Alpha-Benzoinoxime by Density Functional Method
Küçük Resim Yok
Tarih
2014
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
MAIK NAUKA/INTERPERIODICA/SPRINGER
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In the present study, an exhaustive conformational search of the Alpha-benzoinoxime has been performed. The FT-IR spectrum of this compound was recorded in the region 4000-400 cm(-1). The FT-Raman spectrum was also recorded in the region 3500-50 cm(-1). Vibrational frequences of the title compound were calculated by B3LYP method using 6-311++G(d, p) basis set. The calculated vibrational frequences were analysed and compared with experimental results.
Açıklama
Anahtar Kelimeler
Kaynak
OPTICS AND SPECTROSCOPY
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
116
Sayı
2
