Vibrational spectra and structure of isopropylbenzene
A I Fishman1, A I Noskov, A B Remizov
1Kazan State University, Kremlevskaya Street 18, Kazan 420008, Russia. aif@ksu.ru
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.
Related Concept Videos
NMR Spectroscopy of Benzene Derivatives
Structure of Benzene: Molecular Orbital Model
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectrum
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0% (complete...
Mass Spectrometry: Aromatic Compound Fragmentation
Structure of Benzene: Kekulé Model
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.


