Versatility of chlorination-promoted skeletal transformation pathways in C-76 fullerene

Sudarkova S. M.; Mazaleva O. N.; Konoplev-Esgenburg R. A.; Troyanov S. I.; Ioffe I. N.

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Versatility of chlorination-promoted skeletal transformation pathways in C-76 fullerene

机译：C-76富勒烯中氯化促进的骨骼转化途径的多功能性

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We present the synthesis and crystal structure of a new chlorinated non-IPR isomer of C-76 fullerene, (C76Cl30)-C-18387. The new chloride is formed from IPR-D-2-C(76)via a sequence of chlorination-promoted Stone-Wales rearrangements concurrently with the previously known non-IPR compound (C76Cl24)-C-18917. A considerable difference between the two simultaneously forming non-IPR compounds suggests that higher fullerenes can exhibit a much higher versatility of skeletal transformations than the presently known compounds. Our theoretical analysis identifies yet further favorable Stone-Wales pathways in C-76 and predicts several stable non-IPR and non-classical (i.e. heptagon-containing) C-76 chlorides that may await experimental isolation.

机译：我们介绍了C-76富勒烯的新氯化非IPR异构体的合成和晶体结构，（C76Cl30）-C-18387。通过与先前已知的非IPR化合物（C76Cl24）-C-18917同时，通过氯化促进的石威尔士序列重新排列，从IPR-D-2-C（76）由IPR-D-2-C（76）形成。两种同时形成的非IPR化合物之间的相当大的差异表明，较高的富勒烯可以表现出比本典已知的化合物更高的骨骼变换的通用性。我们的理论分析识别C-76中进一步有利的石威尔士途径，并预测了可能等待实验分离的几种稳定的非IPR和非古典（即含庚烷的）C-76氯化物。

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《Dalton transactions: An international journal of inorganic chemistry》 |2018年第13期|共6页
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Sudarkova S. M.; Mazaleva O. N.; Konoplev-Esgenburg R. A.; Troyanov S. I.; Ioffe I. N.;
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Moscow MV Lomonosov State Univ Dept Chem Moscow 119991 Leninskie Gory Russia;

Moscow MV Lomonosov State Univ Dept Chem Moscow 119991 Leninskie Gory Russia;

Moscow MV Lomonosov State Univ Dept Chem Moscow 119991 Leninskie Gory Russia;

Moscow MV Lomonosov State Univ Dept Chem Moscow 119991 Leninskie Gory Russia;

Moscow MV Lomonosov State Univ Dept Chem Moscow 119991 Leninskie Gory Russia;

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正文语种 eng
中图分类化学;无机化学;
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1. Versatility of chlorination-promoted skeletal transformation pathways in C-76 fullerene [J] . Sudarkova S. M., Mazaleva O. N., Konoplev-Esgenburg R. A., Dalton transactions: An international journal of inorganic chemistry . 2018,第13期

机译：C-76富勒烯中氯化促进的骨骼转化途径的多功能性
2. Experimental and Theoretical Approach to Variable Chlorination-Promoted Skeletal Transformations in Fullerenes: The Case of C₁₀₂ [J] . Olga N. Mazaleva, Ilya N. Ioffe, Fei Jin, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2018,第8期

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3. Fused-Pentagon C70Cl6 and C70Cl8 Obtained via Chlorination-Promoted Skeletal Transformation of IPR C-70 [J] . Tamm Nadezhda B., Brotsman Victor A., Markov Vitaliy Yu, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2020,第15期

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Versatility of chlorination-promoted skeletal transformation pathways in C-76 fullerene

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