Dichlorophenyl Derivatives of La@ C  3 v  (7)‐C 82 : Endohedral Metal Induced Localization of Pyramidalization and Spin on a Triple‐Hexagon Junction | Zendy

Akasaka Takeshi | Zendy; Lu Xing | Zendy; Kuga Hidenori | Zendy; Nikawa Hidefumi | Zendy; Mizorogi Naomi | Zendy; Slanina Zdenek | Zendy; Tsuchiya Takahiro | Zendy; Yoza Kenji | Zendy; Nagase Shigeru | Zendy

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Dichlorophenyl Derivatives of La@ C 3 v (7)‐C 82 : Endohedral Metal Induced Localization of Pyramidalization and Spin on a Triple‐Hexagon Junction

Author(s) -

Akasaka Takeshi,

Lu Xing,

Kuga Hidenori,

Nikawa Hidefumi,

Mizorogi Naomi,

Slanina Zdenek,

Tsuchiya Takahiro,

Yoza Kenji,

Nagase Shigeru

Publication year - 2010

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201004318

Subject(s) - adduct , spin (aerodynamics) , metal , atom (system on chip) , substituent , physics , crystallography , character (mathematics) , core (optical fiber) , chemistry , atomic physics , stereochemistry , computer science , mathematics , optics , geometry , organic chemistry , thermodynamics , embedded system

Core controls shell : The X‐ray structure of a dichlorophenyl adduct of the unprecedented La@ C 3 v (7)‐C 82 shows that the substituent is singly bonded to a triple‐hexagon junction C atom, which has pronounced radical character due to strong metal–cage interactions, revealed by plotting theoretical p‐orbital axis vector (POAV) values against SOMO spin densities for the different types of C atoms (see picture).

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