A six-electron spin correlation operator is defined. It has been applied to calculate the probability of a six-electron spin alternate arrangement in cata-benzenoid hydrocarbons by using the projective HMO wavefunction. Comparing with previous indices of local aromaticity, a new measure of Clar's ar
β¦ LIBER β¦
Spin-correlation orderings and their applications in benzenoid hydrocarbons
β Scribed by Yuansheng Jiang; Hongyao Zhu; Guoxiong Wang
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 593 KB
- Volume
- 297
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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## Abstract Previous investigations into the proposed correlations between proton chemical shifts in conjugated hydrocarbons and the various LCAOβMO βreactivity indicesβ (at the corresponding carbon atoms to which the peripheral protons are bonded), are here reassessed in the light of moreβrecently