Experimental and Theoretical Approach to Variable Chlorination-Promoted Skeletal Transformations in Fullerenes: The Case of C102

Olga N Mazaleva; Ilya N Ioffe; Fei Jin; Shangfeng Yang; Erhard Kemnitz; Sergey I Troyanov

doi:10.1021/acs.inorgchem.7b02554

Experimental and Theoretical Approach to Variable Chlorination-Promoted Skeletal Transformations in Fullerenes: The Case of C₁₀₂

Inorg Chem. 2018 Apr 16;57(8):4222-4225. doi: 10.1021/acs.inorgchem.7b02554. Epub 2017 Nov 15.

Authors

Olga N Mazaleva¹, Ilya N Ioffe¹, Fei Jin², Shangfeng Yang², Erhard Kemnitz³, Sergey I Troyanov¹

Affiliations

¹ Chemistry Department , Moscow State University , Leninskie Gory , 119991 Moscow , Russia.
² Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion & Department of Materials Science and Engineering , University of Science and Technology of China , Hefei 230026 , China.
³ Institute of Chemistry , Humboldt University of Berlin , Brook-Taylor-Strasse 2 , 12489 Berlin , Germany.

PMID: 29140687
DOI: 10.1021/acs.inorgchem.7b02554

Abstract

The first example of three alternative chlorination-promoted skeletal transformation pathways in the same fullerene cage is presented. Isolated-pentagon-rule (IPR) C₁₀₂(19) undergoes both Stone-Wales rotations to give non-IPR ^#283794C₁₀₂Cl₂₀ and C₂ losses to form nonclassical C₉₈ and non-IPR C₉₆. X-ray structural characterization of the transformation products and a theoretical study of their formation pathways are reported.