Premium
Cooperative H–X Bond Activation by Electron‐Precise Aluminium and Gallium Compounds Incorporating β‐Diketiminate Ligands
Author(s) -
Hitzfeld Patrick S.,
Kretschmer Robert
Publication year - 2020
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201901320
Subject(s) - chemistry , gallium , aluminium , catalysis , solid state , distortion (music) , electron , computational chemistry , photochemistry , organic chemistry , amplifier , physics , cmos , quantum mechanics , electronic engineering , engineering
The reaction pathways of the cooperative activation of protic, hydridic, and apolar H–X bonds by electron‐precise Al and Ga β‐diketiminates have been probed by means of DFT calculations. Different mechanistic scenarios have been identified and range from concerted bimolecular to associative termolecular mechanisms depending on the nature of the H–X bond. The importance of distortion in the transition‐state structure for catalyst design is emphasised.