RING-PUCKERING ENERGY-LEVELS FOR SPIRO COMPOUNDS
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The ring-puckering potential energy surface for the two ring-puckering vibrations of a spiro compound is given by V = a(x14 + x24) + b(x12 + x22) + cx12x22, where x1 and x2 are the ring-puckering coordinates for the two rings. Calculations for the energy levels have been carried out on three model systems for which the coefficients a and b were selected from known potential functions for silacyclobutane (barrier of 440 cm-1), cyclopentene (barrier of 232 cm-1), and 2,5-dihydrofuran (no barrier). The interaction term was varied over a range from -a to 3a. The case c = 0 represents no interaction between the two rings, while c = 2a represents the case of free pseudorotation. The energy levels for these two values of c were examined most carefully. The effect of a finite central barrier on the free pseudorotation was also examined in some detail. 1991 American Chemical Society.
JOURNAL OF PHYSICAL CHEMISTRY
author list (cited authors)
KELLY, M. B., COOKE, J. M., & LAANE, J.
complete list of authors
KELLY, MB||COOKE, JM||LAANE, J