SEMIBUCKMINSTERFULLERENE - MNDO STUDY OF A HEMISPHERICAL TRIINDENOTRIPHENYLENE

被引：36

作者：

FAUST, R

VOLLHARDT, KPC

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

[2] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1993年 / 19期

关键词：

D O I：

10.1039/c39930001471

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Semiempirical geometry optimization of triindenotriphenylene predicts a rigid cup-shaped structure with strain-induced bond alternation in the central benzenoid ring; model studies of the corresponding Li complex suggest that metal coordination occurs preferentially from the convex side of the bowl.

引用

收藏

页码：1471 / 1473

页数：3

相关论文

共 17 条

[1] CORANNULENE TETRAANION - A NOVEL SPECIES WITH CONCENTRIC ANIONIC RINGS [J].

AYALON, A ;

RABINOVITZ, M ;

CHENG, PC ;

SCOTT, LT .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1992, 31 (12) :1636-1637

[2]

BARTH WE, 1971, J AM CHEM SOC, V93, P1730

[3] SYNTHESIS AND DYNAMICS OF THE CORANNULENE NUCLEUS [J].

BORCHARDT, A ;

FUCHICELLO, A ;

KILWAY, KV ;

BALDRIDGE, KK ;

SIEGEL, JS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (05) :1921-1923

[4] PYRAMIDALIZED ALKENES [J].

BORDEN, WT .

CHEMICAL REVIEWS, 1989, 89 (05) :1095-1109

[5] FULLERENES WITH METALS INSIDE [J].

CHAI, Y ;

GUO, T ;

JIN, CM ;

HAUFLER, RE ;

CHIBANTE, LPF ;

FURE, J ;

WANG, LH ;

ALFORD, JM ;

SMALLEY, RE .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (20) :7564-7568

[6] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[7] METAL-COMPLEXES OF BUCKMINSTERFULLERENE (C-60) [J].

FAGAN, PJ ;

CALABRESE, JC ;

MALONE, B .

ACCOUNTS OF CHEMICAL RESEARCH, 1992, 25 (03) :134-142

[8] THERMAL MOTION ANALYSIS IN TRIPHENYLENE - A LATTICE-DYNAMICAL APPROACH [J].

FILIPPINI, G .

JOURNAL OF MOLECULAR STRUCTURE, 1985, 130 (1-2) :117-124

[9] MEASURE OF NONPLANARITY IN CONJUGATED ORGANIC-MOLECULES - WHICH STRUCTURALLY CHARACTERIZED MOLECULE DISPLAYS THE HIGHEST DEGREE OF PYRAMIDALIZATION [J].

HADDON, RC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (09) :3385-3389

[10] CRYSTAL AND MOLECULAR-STRUCTURE OF CORANNULENE, C-20H-10 [J].

HANSON, JC ;

NORDMAN, CE .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1976, 32 (APR15) :1147-1153