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An extension of the Coulson-Rushbrooke theorem

✍ Scribed by N. Tyutyulkov; O.E. Polansky

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 329 KB
Volume: 139
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)80557-2

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✦ Synopsis

It is shown that the Coulson-Rushbrooke theorem for odd altemant hydrocarbons and polymers can be extended to some classes of non-classical (non-KekulC) systems containing heteroatoms. The extension is only applicable to non-bonding molecular orbitals. The band structure of such polymers is analogous to that of odd altemant non-classical polymers, whose ground state is characterized by maximum spin multiplicity.

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