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C 60 H 4 : Kinetics and Thermodynamics of Multiple Addition to C 60
Author(s) -
Henderson Craig C.,
Rohlfing Celeste McMichael,
Assink Roger A.,
Cahill Paul A.
Publication year - 1994
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199407861
Subject(s) - thermodynamics , kinetics , ab initio , kinetic energy , chemistry , chemical kinetics , computational chemistry , physics , organic chemistry , quantum mechanics
The same compound , 1,2,3,4‐C 60 H 4 ( 1 ), is both the major kinetic product of the reaction of C 60 or C 60 H 2 with BH 3 and the thermodynamically most stable isomer of C 60 H 4 . This was predicted by ab initio calculations and confirmed by experiment.