Dereli, Ö.Erdoğdu, Y.Gullüoglu, M. T.2020-03-262020-03-262012Dereli, Ö., Erdoğdu, Y., Gullüoğlu, M. T., (2012). Study on Molecular Structure and Vibrational Spectra of (Triphenylphosphoranylidene) Acetaldehyde Using DFT: A Combined Experimental and Quantum Chemical Approach. Journal of Molecular Structure, 1012, 105-112. DOI:10.1016/j.molstruc.2011.12.0400022-28601872-8014https://dx.doi.org/10.1016/j.molstruc.2011.12.040https://hdl.handle.net/20.500.12395/28434In 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.en10.1016/j.molstruc.2011.12.040info:eu-repo/semantics/openAccess(Triphenylphosphoranylidene) AcetaldehydeFT-IRFT-RamanDFTVibrational SpectraPEDArticle1012105112Q2WOS:000301606300014Q3