Origin of the bridge bond in [1,1,1]propellane
作者： Tapas Kar , Karl Jug
DOI: 10.1016/0009-2614(96)00415-0
关键词:
摘要: Abstract The nature of bonding in [1,1,1]propellane has been discussed on the basis localized MOs and bond indices. present investigation does not support presence multi-center bonds propellane as claimed earlier. main contributi onto central comes from HOMO.
harvard.edu
elsevier.com
sci-hub.se 参考文章(26)
N. D. Epiotis, Unified Valence Bond Theory of Electronic Structure Applications ,(1983)
A.B. Sannigrahi, AB Initio Molecular Orbital Calculations of Bond Index and Valency Advances in Quantum Chemistry. ,vol. 23, pp. 301- 351 ,(1992) , 10.1016/S0065-3276(08)60032-5
Gilbert Newton Lewis, Valence and the structure of atoms and molecules ,(1923)
Wolf D. Stohrer, Roald Hoffmann, Electronic structure and reactivity of strained tricyclic hydrocarbons Journal of the American Chemical Society. ,vol. 94, pp. 779- 786 ,(1972) , 10.1021/JA00758A017
Richard F. W. Bader, Clement D. H. Lau, Kenneth B. Wiberg, Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations Journal of the American Chemical Society. ,vol. 109, pp. 985- 1001 ,(1987) , 10.1021/JA00238A004
James E. Jackson, Leland C. Allen, The carbon 1-carbon 3 bond in [1.1.1]propellane Journal of the American Chemical Society. ,vol. 106, pp. 591- 599 ,(1984) , 10.1021/JA00315A022
A.B. Sannigrahi, T. Kar, Three-center bond index Chemical Physics Letters. ,vol. 173, pp. 569- 572 ,(1990) , 10.1016/0009-2614(90)87254-O
Kenneth B Wiberg, William P Dailey, Frederick H Walker, Sherman T Waddell, Louis S Crocker, Marshall Newton, None, Vibrational spectrum, structure, and energy of [1.1.1]propellane Journal of the American Chemical Society. ,vol. 107, pp. 7247- 7257 ,(1985) , 10.1021/JA00311A003
Adriana B. Pierini, Hector F. Reale, Jorge A. Medrano, A novel interpretation of bonding in [1.1.1] propellane and theoretical calculation of its unimolecular rearrangement Journal of Molecular Structure: THEOCHEM. ,vol. 148, pp. 109- 118 ,(1986) , 10.1016/0166-1280(86)85009-6
Karl Jug, Andreas Poredda, Polymerization mechanisms of propellanes Journal of the American Chemical Society. ,vol. 113, pp. 761- 764 ,(1991) , 10.1021/JA00003A005