Huang Li
2003
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Journal
Journal of Sichuan University
Abstract
The Raman spectrum was determined in this research. Vibrational assignments were made for the three most abundant conformers of 3 ethylpentane with the aid of normal coordinate calculations. Molecular mechanics and semi empirical molecular orbital calculations were made in order to determine the relative energy of three conformers of 3 ethylpentane. The result shows that the C s, C 1, and C 3 conformations are more stable than the others and they are very close in stability.