Photochemical cleavage of the metal—carbon bond in aluminium porphyrins: Insights from ab initio calculations
作者： Marie-Madeleine Rohmer
DOI: 10.1016/0009-2614(89)87235-5
关键词: Photodissociation 、 Computational chemistry 、 Potential energy 、 Gaussian orbital 、 Porphin 、 Ab initio quantum chemistry methods 、 Configuration interaction 、 Chemistry 、 Metal 、 Aluminium
摘要: Abstract Ab initio calculations at the SCF and DC-SCF levels have been used to study metal—carbon bond in AlPCH 3 (P=porphin dianion). A qualitative set of potential energy curves forms basis for a mechanism photodissociation.
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