Premium
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).