BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS

Schoeller W, BUSCH T (1992)
CHEMISCHE BERICHTE-RECUEIL 125(6): 1319-1323.

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On the bais of ab initio calculations of double-zeta quality at a SCF and MCSCF level, bonding in bis-ylenephosphoranes is compared with the one in phosphoranes. The investigations include the series H3PX, HPX2, HPX (X = CH2, NH, O, SiH2, PH, S). The bis-ylenephosphorane formation becomes more favorable with increasing electronegativity of X. An extreme case is the electropositive group X = SiH2. The resulting pi-system suffers from the Jahn-Teller distortion, causing reduction from C2v to lower C2 Symmetry in the corresponding bisylenephosphorane. Energetically, the corresponding ring systems are more stable than their bis-ylenephoshorane counterparts (for X = CH2 and PH). The electronic hypersurface of the hitherto unknown bis(phosphinylidene)phosphorane is explored in detail and compared in regard to bonding with its analog bis(methylene)phosphorane. For both cases pi-push-pull substitution is important for stabilization of the planar allylic geometry.
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Schoeller W, BUSCH T. BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL. 1992;125(6):1319-1323.
Schoeller, W., & BUSCH, T. (1992). BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL, 125(6), 1319-1323.
Schoeller, W., and BUSCH, T. (1992). BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL 125, 1319-1323.
Schoeller, W., & BUSCH, T., 1992. BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL, 125(6), p 1319-1323.
W. Schoeller and T. BUSCH, “BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS”, CHEMISCHE BERICHTE-RECUEIL, vol. 125, 1992, pp. 1319-1323.
Schoeller, W., BUSCH, T.: BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL. 125, 1319-1323 (1992).
Schoeller, Wolfgang, and BUSCH, T. “BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS”. CHEMISCHE BERICHTE-RECUEIL 125.6 (1992): 1319-1323.
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