On the relative intensities of the Raman active fundamentals, r0 structural parameters, and pathway of chair-boat interconversion of cyclohexane and cyclohexane-d12

• Published in: Journal of Raman spectroscopy Vol. 40; no. 2; pp. 197 - 204
• Main Authors: Durig, James R., Zheng, Chao, El Defrawy, Ahmed M., Ward, Rachel M., Gounev, Todor K., Ravindranath, K., Rajeswara Rao, N.
• Format: Journal Article
• Language: English
• Published: Chichester, UK John Wiley & Sons, Ltd 01.02.2009
• Subjects: ab initio calculations; Chairs; conformational stability; Constants; Cyclohexane; Density; Depolarization; Deuteration; Mathematical analysis; Pathways; r0 parameters; Raman spectroscopy

Raman spectra of liquid cyclohexane, C6H12, and deuterated cyclohexane, C6D12, were recorded with both parallel and perpendicular polarizations. The observed vibrational wavenumbers, depolarization ratios, and their intensities were measured and compared with the corresponding predicted values as we...