G. A. Crowder, R. M. P. Jaiswal
1983
Citations
0
Influential Citations
20
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Infrared and Raman spectra were obtained for 2,2-dimethylhexane, 2,3-dimethyl-hexane, 2,4-dimethylhexane, and 2,5-dimethylhexane, and were interpreted with the aid of normal coordinate calculations. 2,2-DMH exists as two conformers, one with C s symmetry and the other with C 1 symmetry. The C 1 conformer disappears on solidification. Three conformers of 2,3-DMH were found experimentally, but a fourth one probably exists. The solid could not be crystallized. 2,4-DMH exists as three conformers, but the solid for this compound also could not be crystallized. 2,5-DMH exists as C i and C 2 conformers, but only the C i conformer is present in the crystalline solid. Calculations for the eleven molecules with transferred force constant values resulted in an average difference between observed and calculated wavenumbers of 4.4 cm −1 , or 0.37%, for 430 frequencies below 1500 cm −1 .