Geometrical Structures and Magnetic Properties of Trinaphtho[abc,ghi,mno][18]annulene and its congeners

Author:

Kataoka Masahiro1

Affiliation:

1. Tohoku Pharmaceutical University, Komatsushima 4-4-1, Aoba-ku, Sendai 981-8558, Japan

Abstract

Pariser–Parr–Pople-type SCF MO and semiempirical magnetic-susceptibility calculations show that trinaphtho[ abc,ghi,mno]- and two kinds of triazuleno[ abc,ghi,mno][18]annulenes have large diamagnetic susceptibilities and aromatic-islands structures in which three naphthalenes or three azulenes are linked by three olefinic bridges, whereas tripentaleno[ abc,ghi,mno]- and triheptaleno[ abc,ghi,mno][18]annulenes have small diamagnetic susceptibilities and polyolefine structures where bond alternations are distributed all over their molecular planes.

Publisher

SAGE Publications

Subject

General Chemistry

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1. Titanate Coupling Agents;Functional Fillers for Plastics;2010-09-07

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