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Quantum-Chemical Estimation of the Stability and Reactivity of Diphosphonium Salts

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Abstract

For a series of diphosphonium salts containing two positively charged covalently bonded phosphorus atoms, X/sub> n Y3-n P+P+X n Y3-n (X = alkyl substituent, Y = amino group, n = 0-3), the stability, reactivity, and P-P bond strength were evaluated by various physicochemical methods. The P-P bond energy is appreciably influenced by both steric factors and donor properties of the substituents. The calculations confirmed that transformations of diphosphonium salts can involve cleavage of both P-P and P-N (or P-C) bonds.

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Zagumennov, V.A., Vedernikov, A.N., Nikitin, E.V. et al. Quantum-Chemical Estimation of the Stability and Reactivity of Diphosphonium Salts. Russian Journal of General Chemistry 73, 921–927 (2003). https://doi.org/10.1023/A:1026304918818

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