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On the Stabilisation of a Singlet Nitrene by the Phosphaniminato and Related Imine‐Type Substituents, a Quantum Chemical Investigation
Author(s) -
Schoeller Wolfgang,
Rozhenko A. B.
Publication year - 2001
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 - 10.1002/1099-0682(200103)2001:3<845::aid-ejic845>3.0.co;2-n
Subject(s) - chemistry , singlet state , nitrene , imine , substituent , quantum chemical , photochemistry , destabilisation , triplet state , singlet oxygen , singlet fission , computational chemistry , stereochemistry , organic chemistry , molecule , excited state , catalysis , atomic physics , oxygen , physics , psychology , social psychology
The substituent effects on the singlet−triplet energy separations are explored for phosphanylnitrenes and related congeners from the Group 14 to Group 16 elements. Imine‐type substituents (e.g. phosphaniminato, methyleneimine etc.) are more effective than amino groups in lowering the energy of a singlet below that of a triplet state. It is due to an effective stabilisation of the singlet and a destabilisation of the triplet.