Abstract
Ooshika (1957) has recently found, using the self-consistent molecular orbital theory, that a cyclicpolyene C
2n
H
2n
exhibits marked bond alternation if
n
is very large. Here we show that, provided bond compression is taken into account, this result follows inevitably from even the simple l.c.a.o. theory, and is independent of the analytic form of either /?(
r
), the resonance integral, or
f
(
r
), the cr bond energy. An investigation of the linear polyenes C
2n
H
2n+2
and C
2n+1
H
2n+3
leads to the same conclusions, which contradict those of Lennard-Jones (1937) and Coulson (1938) but agree with those of Ooshika (1957) and Labhart (1957). A simple calculation, based on an exponential form for leads to a value of about 0.04 A for the difference in length between adjacent bonds in the infinite chain.
Reference23 articles.
1. Proc. Roy;Coulson C. A.;Soc. A,1938
2. Proc. Roy;Coulson C. A.;Soc. A,1939
3. Proc. Roy;Coulson C. A.;Soc. A,1951
4. Proc. Roy;Coulson C. A.;Soc. A,1947
5. Studies in Graphite and Related Compounds I: Electronic Band Structure in Graphite
Cited by
751 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献