CALCULATION OF KINETIC-ENERGY FUNCTIONS FOR THE RING-PUCKERING VIBRATION OF ASYMMETRIC 5-MEMBERED RINGS
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The use of vectors simplifies the representation of the molecular structures resulting from the ring puckering of asymmetric five-membered rings. The kinetic energy (inverse reduced mass) functions have been calculated for several ring molecules including 2,3-dihydrofuran, 2,3-dihydrothiophene, 2-cyclopenten-1-one, and 2-phospholene. The structures used for the calculations were determined from molecular mechanics calculations. The accurate determination of the kinetic energy terms has made it possible to calculate the one-dimensional ring-puckering potential functions for these molecules in dimensional form. 1987.
JOURNAL OF MOLECULAR SPECTROSCOPY
author list (cited authors)
SCHMUDE, R. W., HARTHCOCK, M. A., KELLY, M. B., & LAANE, J.
complete list of authors
SCHMUDE, RW||HARTHCOCK, MA||KELLY, MB||LAANE, J