eng Oriental Scientific Publishing Company Material Science Research India 0973-3469 2012-06-20 9 1 117 121 1201 article IR, Raman, First Hyperpolarizability and Computational Study of 1-chloroethyl Benzene Hema Tresa Varghese 1 C. Yohannan Panicker 2 Sheena Mary Y Department of Physics, Fatima Mata National College, Kollam, Kerala, India. Department of Physics, TKM College of Arts and Science, Kollam, Kerala, India.

The FTIR and FT-Raman spectra of 1-chloroethylbenzene were recorded and analyzed. The harmonic vibrational wavaenumbers were calculated theoretically using Gaussian03 set of quantum chemistry codes. The calculated wavenumbers (B3LYP) agree well with the observed wavenumbers. The calculated first hyperpolarizability is reported and the title compound is an attractive object for further studies of nonlinear optics.

 https://www.materialsciencejournal.org/vol9no1/ir-raman-first-hyperpolarizability-and-computational-study-of-1-chloroethyl-benzene/ Chloroethyl DFT FT-IR FT-Raman Hyperpolarizability