1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties

Schoeller W, Tubbesing U, Rozhenko AB (1998)
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (7): 951-955.

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Abstract
According to quantum chemical calculations at an ab initio level parent 1,2-diphosphete is slightly more stable than its corresponding 1,4-diphosphabutadiene structural isomer. The quantum chemical calculations indicate that substituents at phosphorus and to a much less extent at carbon exert strong influences on the equilibrium geometries of 1,2-diphosphete structures: pi donors at phosphorus strongly elongate the P-P bond while electronegative substituents at phosphorus increase the interflap angle of the four-membered ring systems, bringing an envelope conformation to the fore. The lengthening of the P-P bond gives rise to a Mobius-type delocalization within the ring moiety.
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Schoeller W, Tubbesing U, Rozhenko AB. 1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 1998;(7):951-955.
Schoeller, W., Tubbesing, U., & Rozhenko, A. B. (1998). 1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY(7), 951-955.
Schoeller, W., Tubbesing, U., and Rozhenko, A. B. (1998). 1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 951-955.
Schoeller, W., Tubbesing, U., & Rozhenko, A.B., 1998. 1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, (7), p 951-955.
W. Schoeller, U. Tubbesing, and A.B. Rozhenko, “1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 1998, pp. 951-955.
Schoeller, W., Tubbesing, U., Rozhenko, A.B.: 1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 951-955 (1998).
Schoeller, Wolfgang, Tubbesing, U, and Rozhenko, AB. “1,2-diphosphetes with unusual structures - A quantum chemical investigation of bonding properties”. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 7 (1998): 951-955.
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