π-electron currents induced in polycyclic benzenoid hydrocarbons and their relationship to Clar structures

被引:31
作者
Aihara, J [1 ]
机构
[1] Shizuoka Univ, Fac Sci, Dept Chem, Oya, Shizuoka 4228529, Japan
关键词
D O I
10.1021/jp0308918
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
When an external magnetic field is applied to polycyclic benzenoid hydrocarbon molecules, a a-election current is induced in the pi system. This current can be partitioned formally among the constituent benzene rings. Part of the pi-electron current assigned to each benzene ring is called the ring current. The distribution of large diatropic ring currents in a polycyclic benzehoid pi system was found to be in excellent agreement with that of sextet rings in the Clar structure. This supports the view that six-membered circuits are the main origin of aromatic stabilization. However, formal ring currents in honbenzenoid hydrocarbons are not always related to their aromaticity.
引用
收藏
页码:11553 / 11557
页数:5
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共 44 条
[1]   BOND RESONANCE ENERGY AND VERIFICATION OF THE ISOLATED PENTAGON RULE [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (14) :4130-4136
[2]   Bond resonance energies of polycyclic benzenoid and non-benzenoid hydrocarbons [J].
Aihara, J .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1996, (10) :2185-2195
[3]   BOND RESONANCE ENERGIES AND KINETIC STABILITIES OF CHARGED FULLERENES [J].
AIHARA, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (34) :12739-12742
[4]   NON-SUPERAROMATIC REFERENCE DEFINED BY GRAPH-THEORY FOR A SUPER-RING MOLECULE [J].
AIHARA, J .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (02) :237-239
[5]   NUMBER OF AROMATIC SEXTETS IN A BENZENOID HYDROCARBON [J].
AIHARA, J .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1976, 49 (05) :1429-1430
[6]   UNIFIED THEORY OF AROMATICITY AND LONDON DIAMAGNETISM [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (19) :5704-5706
[7]   Graph-theoretical re-interpretation of NICS values for polycyclic aromatic hydrocarbons: Naphthalene and azulene [J].
Aihara, J ;
Oe, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2003, 76 (07) :1363-1364
[8]   GENERAL GRAPH-THEORETICAL FORMULA FOR THE LONDON SUSCEPTIBILITY OF A CYCLIC CONJUGATED SYSTEM WITH HIGHLY DEGENERATE ORBITALS [J].
AIHARA, J ;
HORIKAWA, T .
CHEMICAL PHYSICS LETTERS, 1983, 95 (06) :561-563
[9]   GRAPH-THEORETICAL FORMULA FOR RING CURRENTS INDUCED IN A POLYCYCLIC CONJUGATED SYSTEM [J].
AIHARA, J ;
HORIKAWA, T .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1983, 56 (06) :1853-1854
[10]   GRAPH-THEORETICAL FORMULATION OF LONDON DIAMAGNETISM [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (20) :5913-5917