eng Oriental Scientific Publishing Company Material Science Research India 0973-3469 2012-06-20 9 1 159 164 1224 article Vibrational Spectroscopic and First Hyperpolarizability Study of 1-chloro-2-methyl-2-phenylpropane C. Yohannan Panicker 1 Hema Tresa Varghese 2 Sheena Mary Y. 2 Department of Physics, TKM College of Arts and Science, Kollam, Kerala, India. Department of Physics, Fatima Mata National College, Kollam, Kerala, India.

FTIR and FT-Raman spectrum of 1-chloro-2-methyl-2-phenylpropane were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The experimental frequencies are in agreement with the calculated (B3LYP) scaled values. The predicted infrared intensities, Raman activities and first hyperpolarizability are reported.

 https://www.materialsciencejournal.org/vol9no1/vibrational-spectroscopic-and-first-hyperpolarizability-study-of-1-chloro-2-methyl-2-phenylpropane/ DFT Propane Hyperpolarizability FTIR FT-Raman