ISSN:
1434-1948
Keywords:
Phosphanylcarbenes
;
Substituent effects
;
Quantum chemical calculations
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A phosphanyl group exerts much less π-conjugation properties than an amino group. On this basis, corresponding carbene structures exhibit much smaller singlet-triplet energy separations. Of the various structures investigated quantum-chemically the largest singlet-triplet energy separations are predicted for cyclic diphosphanylcarbenes, in which the two functional groups are incorporated into a ring system and the phosphorus atoms are substituted by phosphoraniminato groups. Then the singlet-triplet energy separations become essentially larger than for the Bertrand-type (push-pull) carbenes.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
