Ö. Dereli, Y. Erdoğdu, M. T. Gulluoglu
Mar 28, 2012
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Journal
Journal of Molecular Structure
Abstract
Abstract In the present study, an exhaustive conformational search of the (triphenylphosphoranylidene) acetaldehyde 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 frequencies of the title compound have been calculated by B3LYP method using 6-311++G(d,p) basis sets. The calculated geometric parameters and vibrational frequencies were analyzed and compared with obtained experimental results.