Literature DB >> 18479110

Is fullerene C60 large enough to host a multiply bonded dimetal?

Ivan Infante1, Laura Gagliardi, Gustavo E Scuseria.   

Abstract

Some dimetal fullerenes M 2@C 60 (M = Cr, Mo, W) have been studied with computational quantum chemistry methods. The transition metal diatomic molecules Cr 2, Mo 2, W 2 form exohedral complexes with C 60, while U 2 forms a highly symmetric endohedral compound and it is placed in the center of the C 60 cavity. This highly symmetric structure is an artifact due to the small size of the C 60 cavity, which constrains U 2 at the center. If a larger cavity is used, like C 70 or C 84, U 2 preferentially binds the internal walls of the cavity and the U-U bond no longer exists.

Entities:  

Year:  2008        PMID: 18479110     DOI: 10.1021/ja800847j

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  3 in total

1.  Defect induced electronic structure of uranofullerene.

Authors:  Xing Dai; Cheng Cheng; Wei Zhang; Minsi Xin; Ping Huai; Ruiqin Zhang; Zhigang Wang
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

2.  Structural and electronic properties of uranium-encapsulated Au₁₄ cage.

Authors:  Yang Gao; Xing Dai; Seung-gu Kang; Camilo Andres Jimenez-Cruz; Minsi Xin; Yan Meng; Jie Han; Zhigang Wang; Ruhong Zhou
Journal:  Sci Rep       Date:  2014-07-29       Impact factor: 4.379

3.  Characterization of a strong covalent Th3+-Th3+ bond inside an Ih(7)-C80 fullerene cage.

Authors:  Jiaxin Zhuang; Roser Morales-Martínez; Jiangwei Zhang; Yaofeng Wang; Yang-Rong Yao; Cuiying Pei; Antonio Rodríguez-Fortea; Shuao Wang; Luis Echegoyen; Coen de Graaf; Josep M Poblet; Ning Chen
Journal:  Nat Commun       Date:  2021-04-22       Impact factor: 14.919

  3 in total

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