CALCULATION OF KINETIC-ENERGY FUNCTIONS FOR THE RING-PUCKERING VIBRATION OF ASYMMETRIC 5-MEMBERED RINGS Academic Article

abstract

• 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.

authors

• Laane, Jaan

published proceedings

• JOURNAL OF MOLECULAR SPECTROSCOPY

author list (cited authors)

• SCHMUDE, R. W., HARTHCOCK, M. A., KELLY, M. B., & LAANE, J.

citation count

• 37

complete list of authors

• SCHMUDE, RW||HARTHCOCK, MA||KELLY, MB||LAANE, J

publication date

• August 1987

publisher

• Elsevier  Publisher

published in

• Journal of Molecular Spectroscopy  Journal

Digital Object Identifier (DOI)

• 10.1016/0022-2852(87)90147-0

start page

• 369

end page

• 378

volume

• 124

issue

• 2

URL

• http://dx.doi.org/10.1016/0022-2852(87)90147-0