On the corrections due to curvature for pi-electron energies in large ring molecules

被引：2

作者：

Power, E. A. ^{[1
,2
]}

Thirunamachandran, T. ^{[1
,3
]}

机构：

[1] Australian Natl Univ, Res Sch Chem, Inst Adv Studies, Canberra, ACT, Australia

[2] UCL, Dept Math, London, England

[3] UCL, Dept Chem, London, England

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 06期

关键词：

D O I：

10.1016/0009-2614(69)80136-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The modifications of the electronic energies predicted by the free-electron model for pi-electrons m long molecules due to curvature of the bond paths are found. Numerical results are given for the an-nulenes which show that the corrections due to curvature reprove the theoretical values.

引用

页码：361 / 362

页数：2

共 8 条

[1]

ARKAI G, 1967, SUPP PROG THEOR PHYS, V40, P106

[2] Theories of optical rotatory power [J].

Condon, EU .

REVIEWS OF MODERN PHYSICS, 1937, 9 (04) :0432-0457

[3]

HUMMEL RL, 1965, MODERN QUANTUM CHEM

[4] A QUANTUM-MECHANICAL THEORY OF LIGHT ABSORPTION OF ORGANIC DYES AND SIMILAR COMPOUNDS [J].

KUHN, H .

JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1198-1212

[5] THE ALTERNATION OF BOND LENGTHS IN LARGE CONJUGATED MOLECULES .3. THE CYCLIC POLYENES C18H18,C24H24 AND C30H30 [J].

LONGUETHIGGINS, HC ;

SALEM, L .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 257 (1291) :445-456

[6]

PLATT JR, 1964, FREE ELECT THEORY CO

[7]

RUDENBERG K, 1951, J CHEM PHYS, V19, P1268

[8] OPTICAL ROTATION OF ORIENTED HELICES .4. FREE ELECTRON ON HELIX [J].

TINOCO, I ;

WOODY, RW .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (01) :160-&

← 1 →