DOI: 10.1098/rspa.1959.0100. The alternation of bond lengths in long conjugated chain molecules

The alternation of bond lengths in long conjugated chain molecules

10.1098/rspa.1959.0100

Crossref journal-article

The Royal Society

Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences (175)

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.

Bibliography

The alternation of bond lengths in long conjugated chain molecules. (1959). Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 251(1265), 172â185.

Authors 0

None

References 23 Referenced 495

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Dates

Type	When
Created	18 years, 8 months ago (Dec. 15, 2006, 4:38 p.m.)
Deposited	4 years, 6 months ago (Feb. 20, 2021, 2:12 p.m.)
Indexed	2 months ago (July 2, 2025, 12:36 p.m.)
Issued	66 years, 3 months ago (May 26, 1959)
Published	66 years, 3 months ago (May 26, 1959)
Published Online	28 years, 8 months ago (Jan. 1, 1997)
Published Print	66 years, 3 months ago (May 26, 1959)

Funders 0

None

BibTeX

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