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      Crippling the C 70 fullerene: non-classical C 68Cl 26(OH) 2 and C 68Cl 25(OH) 3 with three heptagons and only fused pentagons via chlorination-promoted skeletal transformations

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          Abstract

          High-temperature chlorination of C 70 with SbCl 5 promotes a five-step skeletal transformation that gives partially hydrolyzed C 68Cl 28 with an unprecedented carbon cage featuring three heptagons and 15 pentagons arranged in fused pairs and triples.

          Abstract

          High-temperature (440 °C) chlorination of C 70 with SbCl 5 promotes Stone–Wales transformations and loss of the C 2 fragment, which results in a non-classical C 68Cl 28 partially hydrolyzed to C 68Cl 26(OH) 2 and C 68Cl 25(OH) 3. X-ray diffraction reveals an unprecedented C 68 cage with three heptagons and 15 pentagons arranged in fused pairs and triples. The shortest possible transformation pathways include one C 2 loss step and four Stone–Wales transformation steps.

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          Generalized Gradient Approximation Made Simple

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            General atomic and molecular electronic structure system

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              Theoretical studies of icosahedral C60 and some related species

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                Author and article information

                Contributors
                (View ORCID Profile)
                (View ORCID Profile)
                (View ORCID Profile)
                Journal
                CHCOFS
                Chemical Communications
                Chem. Commun.
                Royal Society of Chemistry (RSC)
                1359-7345
                1364-548X
                June 16 2022
                2022
                : 58
                : 49
                : 6918-6921
                Affiliations
                [1 ]Chemistry Department, Moscow State University, Leninskie gory, 119991 Moscow, Russia
                Article
                10.1039/D2CC01719A
                e4304b98-7806-41d6-8c2f-4d340713912c
                © 2022

                http://rsc.li/journals-terms-of-use

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