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Ordered structure of a distorted C[sub 60][sup 2[minus]] fulleride ion

We now report the experimental observation of a distortion in the crystal structure of the PPN[sup +] salt of C[sub 60][sup 2[minus]] (PPN[sup +] = bis(triphenylphosphine)iminium ion). This is the first single-crystal structure of a C[sub 60][sup [minus]] salt, and it is highly ordered. The packing...

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Bibliographic Details
Published in:Journal of the American Chemical Society 1994-05, Vol.116:9
Main Authors: Paul, P., Xie, Z., Bau, R., Boyd, P.D.W., Reed, C.A.
Format: Article
Language:English
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Summary:We now report the experimental observation of a distortion in the crystal structure of the PPN[sup +] salt of C[sub 60][sup 2[minus]] (PPN[sup +] = bis(triphenylphosphine)iminium ion). This is the first single-crystal structure of a C[sub 60][sup [minus]] salt, and it is highly ordered. The packing diagram shows that the C[sub 60][sup 2[minus]] anion sits at a center of symmetry and is completely surrounded by PPN[sup +] cations. There are at least 22 phenyl groups (11 symmetry-related pairs) that closely approach the C[sub 60][sup 2[minus]] unit. They are derived from five distinct pairs of cations on a 4,3,2,1,1 basis. The C[sub 60][sup 2[minus]] ion shows a small but significant distortion from icosahedral symmetry. In summary, we have provided the first structural proof of distortion in C[sub 60][sup n[minus]] ions. All C[sub 60][sup n[minus]] ions up to n = 5 have Jahn-Teller degenerate electronic states and may show related distortions. 12 refs., 3 figs., 1 tab.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja00088a087