Electron spin density distribution in the polymer phase of CsC60:: Assignment of the NMR spectrum

被引:25
作者
de Swiet, TM [1 ]
Yarger, JL
Wagberg, T
Hone, J
Gross, BJ
Tomaselli, M
Titman, JJ
Zettl, A
Mehring, M
机构
[1] Univ Nottingham, Sch Chem, Nottingham NG7 2RD, England
[2] Univ Wyoming, Dept Chem, Laramie, WY 82071 USA
[3] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
[4] EO Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA
[5] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[6] Univ Stuttgart, Inst Phys 2, D-70550 Stuttgart, Germany
关键词
D O I
10.1103/PhysRevLett.84.717
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present high resolution Cs-133-C-13 double resonance NMR data and C-13-C-13 NMR correlation spectra of C-13 enriched samples of the polymeric phase of CsC60. These data lead to a partial assignment of the lines in the C-13 NMR spectrum of CSC60 to the carbon positions on the C-60 molecule. A plausible completion of the assignment can be made on the basis of an ab initio calculation, The data support the view that the conduction electron density is concentrated at the C60 "equator," away from the interfullerene bonds.
引用
收藏
页码:717 / 720
页数:4
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