Makale detayı · 2014 · article
Molecular structure and vibrational spectra of alpha benzoinoxime by density functional method
Veri kaynağı ayrımı
- YÖKSİSYÖKSİS makale kaydı
- YÖKSİS dergi adıOPTICS AND SPECTROSCOPY
- Katalog eşleşmesi (ISSN)Optics and Spectroscopy (English translation of Optika i Spektroskopiya)
- OpenAlexOpenAlex zenginleştirmesi (özet, atıf, konular)
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.
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