LONE C-C SINGLE BONDS IN ANTHRACENE DIMERS - THE STRUCTURE OF BI(ANTHRACENE-9,10-DIMETHYLENE) PHOTODIMER IS REDETERMINED

被引：37

作者：

BATTERSBY, TR

GANTZEL, P

BALDRIDGE, KK

SIEGEL, JS

机构：

[1] UNIV CALIF SAN DIEGO,DEPT CHEM & BIOCHEM,LA JOLLA,CA 92093

[2] SAN DIEGO SUPERCOMP CTR,SAN DIEGO,CA 92186

来源：

TETRAHEDRON LETTERS | 1995年 / 36卷 / 06期

关键词：

D O I：

10.1016/0040-4039(94)02396-S

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Ab Initio HF and DF Theory computations are performed on anthracene dimers 1-3. Crystal structures are redetermined at low temperature for 2 and 3. The 1.77 Angstrom,central bond length previously reported for 3 is shown to be only 1.648 Angstrom. Through-bond coupling as a primary cause of bond lengthening in 1-3 is questioned.

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页码：845 / 848

页数：4

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