Relative Bond Strengths in Tetrahedrane, Prismane, and Some of Their Aza Analogs

abstract

• Ab initio molecular orbital calculations at the 3-21G level have been employed to explore structures, bond order, and bond deviation indices for a series of aza- and diazatetrahedranes and aza-, diaza-, triaza-, and tetraazaprismanes as well as their hydrocarbon analogs. The introduction of nitrogens has the effect of strengthening C-C and some of the N-C bonds, while the presence of N-N bonds introduces a decrease in relative thermodynamic stability in the aza-prismane series. 1989 VCH Publishers, Inc.

authors

• Seminario, Jorge

published proceedings

• STRUCTURAL CHEMISTRY

author list (cited authors)

• Politzer, P., & Seminario, J. M.

citation count

• 25

complete list of authors

• Politzer, Peter||Seminario, Jorge M

publication date

• January 1990

publisher

• Springer Nature  Publisher

published in

• Structural Chemistry: computational and experimental studies of chemical and biological systems  Journal

keywords

• 34 Chemical Sciences
• 3405 Organic Chemistry

Digital Object Identifier (DOI)

• 10.1007/BF00675781

start page

• 29

end page

• 32

volume

• 1

issue

• 1

URL

• http%3A%2F%2Fdx.doi.org%2F10.1007%2Fbf00675781