On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation

Schoeller W, Rozhenko AB (2001)
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (3): 845-850.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
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.
Stichworte
density functional calculations; substituent effects; radicals; nitrenes
Erscheinungsjahr
2001
Zeitschriftentitel
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Ausgabe
3
Seite(n)
845-850
ISSN
1434-1948
Page URI
https://pub.uni-bielefeld.de/record/1617849

Zitieren

Schoeller W, Rozhenko AB. On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2001;(3):845-850.
Schoeller, W., & Rozhenko, A. B. (2001). On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY(3), 845-850.
Schoeller, W., and Rozhenko, A. B. (2001). On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 845-850.
Schoeller, W., & Rozhenko, A.B., 2001. On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, (3), p 845-850.
W. Schoeller and A.B. Rozhenko, “On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2001, pp. 845-850.
Schoeller, W., Rozhenko, A.B.: On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 845-850 (2001).
Schoeller, Wolfgang, and Rozhenko, AB. “On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation”. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 3 (2001): 845-850.