RING-PUCKERING ENERGY-LEVELS FOR SPIRO COMPOUNDS Academic Article

abstract

• 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.

authors

• Laane, Jaan

published proceedings

• JOURNAL OF PHYSICAL CHEMISTRY

author list (cited authors)

• KELLY, M. B., COOKE, J. M., & LAANE, J.

citation count

• 3

complete list of authors

• KELLY, MB||COOKE, JM||LAANE, J

publication date

• November 1991

publisher

• American Chemical Society (ACS)  Publisher

published in

• The Journal of physical chemistry  Journal

Digital Object Identifier (DOI)

• 10.1021/j100176a041

start page

• 9250

end page

• 9256

volume

• 95

issue

• 23

URL

• http://dx.doi.org/10.1021/j100176a041