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Addition of Terminal Alkynes to a Molecular Titanium–Zinc Nitride
Author(s) -
Carbó Jorge J.,
Martín Avelino,
Mena Miguel,
PérezRedondo Adrián,
Poblet JosepM.,
Yélamos Carlos
Publication year - 2007
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.200604677
Subject(s) - titanium , chemistry , zinc , ligand (biochemistry) , nitride , crystallography , terminal (telecommunication) , density functional theory , stereochemistry , computational chemistry , organic chemistry , receptor , telecommunications , layer (electronics) , computer science , biochemistry
Cubic cages : The alkynylimido clusters 2 ([Ti]=Ti(η 5 ‐C 5 Me 5 ); R=SiMe 3 , Ph) are formed upon reaction of 1 with terminal alkynes. Density functional calculations show that the process involves a two‐electron reduction of the Ti 3 fragment. A concerted CH activation, which leads to an alkynyl titanium complex, is followed by alkynyl migration to the apical nitrido ligand (see picture).