Aromaticity rules for cycles with arbitrary numbers of half-twists

被引:29
作者
Fowler, PW [1 ]
Rzepa, HS
机构
[1] Univ Sheffield, Dept Chem, Sheffield S3 7HF, S Yorkshire, England
[2] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England
关键词
D O I
10.1039/b601655c
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
A simple proof is given that the Huckel aromaticity rules generalise to cycles with an arbitrary number of half-twists, T; addition/ removal of half-twists two at a time preserves all eigenvalues and degeneracies, so that closed-shell aromatic systems occur at pi-electron counts 4N + 2, and antiaromatic at 4N for even T, and vice versa for odd T.
引用
收藏
页码:1775 / 1777
页数:3
相关论文
共 20 条
[1]  
Adams C.C., 1994, The Knot Book
[3]   Huckel spectra of Mobius π systems [J].
Fowler, PW .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (13) :2878-2883
[4]   Ring-current aromaticity in triplet states of 4n π electron monocycles [J].
Fowler, PW ;
Steiner, E ;
Jenneskens, LW .
CHEMICAL PHYSICS LETTERS, 2003, 371 (5-6) :719-723
[5]   A MNEMONIC DEVICE FOR MOLECULAR ORBITAL ENERGIES [J].
FROST, AA ;
MUSULIN, B .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :572-573
[7]  
Garratt P. J., 1971, AROMATICITY
[8]  
Gogonea V, 1998, ANGEW CHEM INT EDIT, V37, P1945, DOI 10.1002/(SICI)1521-3773(19980803)37:13/14<1945::AID-ANIE1945>3.0.CO
[9]  
2-E
[10]  
HEILBRONNER E, 1964, TETRAHEDRON LETT, P1923