Literature DB >> 12203628

Pentagonal-dodecahedral la2 charge density in [80-ih ]fullerene: la2 @c80.

E Nishibori1, M Takata, M Sakata, A Taninaka, H Shinohara.   

Abstract

A double shell of Platonic solids: A trajectory that connects the six-membered rings of Ih -C80 is followed by the two La atoms of La2 @C80 according to maximum entropy/Rietveld analysis of the synchrotron powder-diffraction data. The result is a pentagonal-dodecahedral charge-density distribution for La2 (brown in the picture) inside the icosahedral C80 cage (green).
Copyright © 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Entities:  

Keywords:  X-ray diffraction; fullerenes; lanthanum; structure elucidation; synchrotron radiation

Year:  2001        PMID: 12203628     DOI: 10.1002/1521-3773(20010817)40:16<2998::AID-ANIE2998>3.0.CO;2-4

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  1 in total

1.  Dynamic motion of La atom inside the C₇₄ (D₃h) cage: a relativistic DFT study.

Authors:  Dongxu Tian; Suzhen Ren; Ce Hao
Journal:  J Mol Model       Date:  2012-12-29       Impact factor: 1.810

  1 in total

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