Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics
DOI: 10.1039/c5cp06169e
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Endohedral Ca@B<sub>38</sub>: stabilization of a B<sub>38</sub><sup>2−</sup>borospherene dianion by metal encapsulation
Journal article published in 2016 by
Qiang Chen 
,
Hai-Ru Li,
Chang-Qing Miao,
Ying-Jin Wang,
Hai-Gang Lu,
Yue-Wen Mu,
Guang-Ming Ren,
Hua-Jin Zhai,
Si-Dian Li
,
Hai-Ru Li,
Chang-Qing Miao,
Ying-Jin Wang,
Hai-Gang Lu,
Yue-Wen Mu,
Guang-Ming Ren,
Hua-Jin Zhai,
Si-Dian Li
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Abstract
We present the viability of an endohedralCsCa@B38which contains aCsB382−borospherene cage composed of interwoven boron double chains with a σ + π double delocalization bonding pattern, extending the Bnq(q=n− 40) borospherene family fromn= 39–42 ton= 38.