INTERACTION OF WALSH-ORBITALS IN DIADEMANE AND RELATED HYDROCARBONS

被引:41
作者
HEILBRONNER, E
GLEITER, R
HOSHI, T
DEMEIJER.A
机构
[1] UNIV BASEL, PHYS CHEM INST, BASEL, SWITZERLAND
[2] UNIV GOTTINGEN, ORG CHEM INST, GOTTINGEN, WEST GERMANY
关键词
Quantum chemistry - Photoelectron spectroscopy - Propane;
D O I
10.1002/hlca.19730560515
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
To obtain further information concerning the interaction between Walsh-orbitals of 'conjugated' cyclopropane rings, the photoelectron spectra of the following compounds have been recorded: bicyclo[4.1.0]heptane 1, cis- and trans-tricyclo[5.1.03,5]octane 2, 3, diademane 4, transpentacyclo[3.3.2.02,9.04,10.06,8]decane 5 and bicyclo[4.1.0]heptene-2 6. The first bands in the PE.-spectra of these compounds have been assigned on the basis of a ZDO HMO-approximation. For 2 and 4 the value for resonance integral between linked 2p atomic orbitals of two adjacent eclipsed cyclopropane rings is found to be -1.73 eV.
引用
收藏
页码:1594 / 1604
页数:11
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