Citation: Han Xing LIU, Chia Chung SUN. THROUGH-SPACE AND THROUGH-BOND INTERACTIONS IN 1,5-CYCLOOCTADIYNE;THE ASSIGNMENT OF ITS PHOTOELECTRON SPECTRA[J]. Chinese Chemical Letters, ;1992, 3(6): 437-440. shu

THROUGH-SPACE AND THROUGH-BOND INTERACTIONS IN 1,5-CYCLOOCTADIYNE;THE ASSIGNMENT OF ITS PHOTOELECTRON SPECTRA

Han Xing LIU ^a ,
Chia Chung SUN ^b

a Advanced Materials Research Institute Wuhan University of Technology Wuhan 430070;
b Institute of Theoretical Chemistry Jilin University Changchun 130021

Received Date: 3 January 1992

The through--space and through--bond interactions in 1, 5--Cyclooctadiyne arestudied.It is shown, with the assistance of improved MS--X_α method, that the through- spaceinteractions decrease with the distance of the orbitals, and both through--space and through--bondinteractions of 1, 5-Cyclooctadiyne are sizable but those two interactions oppose each othercausing the net splitting to be small for π_z orbital.The calculated ionization potentials are in goodagreement with the experiment of photoelectron spectra
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