Effect of charge state on polymeric bonding geometry:: The ground state of Na2RbC60

被引：99

作者：

Bendele, GM ^{[1
]}

Stephens, PW

Prassides, K

Vavekis, K

Kordatos, K

Tanigaki, K

机构：

[1] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA

[2] Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA

[3] Univ Sussex, Sch Chem Phys & Environm Sci, Brighton BN1 9QJ, E Sussex, England

[4] NEC Corp Ltd, Fundamental Res Labs, Tsukuba, Ibaraki 305, Japan

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 04期

关键词：

D O I：

10.1103/PhysRevLett.80.736

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Theoretical calculations have predicted all fullerene polymers to have interfullerene connections via [2 + 2] cycloaddition. We find that the ground state of Na2RbC60 is a one-dimensional polymer of fullerene molecules connected by single carbon-carbon bonds. We discuss and exclude possible steric and kinetic reasons for this discrepancy. Our results imply that it is the charge state of the fullerene molecule that drives the bonding mechanism, causing (C-60(1-))(n) and neutral (C-60)(n) to favor cycloaddition and (C-60(3-))(n) to favor single carbon-carbon bonds. [S0031-9007(97)05104-1].

引用

页码：736 / 739

页数：4

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