Vibrational spectra and structure of isopropylbenzene.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2008-04-29)
A I Fishman, A I Noskov, A B Remizov, D V Chachkov
ABSTRACT

Infrared spectra (4,000-400 cm(-1)) and Raman spectra (1,700-40 cm(-1)) of the liquid and two crystalline solids of isopropylbenzene (cumene) and isopropylbenzene-d(12) have been recorded. The spectra indicate that in the liquid and crystalline solids isopropylbenzene exists in planar conformation only (CH bond is in the plane of the benzene ring). An assignment of the observed band wave numbers both isopropylbenzene and isopropylbenzene-d(12) is discussed by comparison with normal mode wave numbers and IR intensities calculated from ab initio 6-31G (d) force fields.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Cumene, 98%
Supelco
Cumene, Pharmaceutical Secondary Standard; Certified Reference Material
Supelco
Cumene, PESTANAL®
Supelco
Cumene solution, certified reference material, 5000 μg/mL in methanol