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Electronics structures of amidine and its complex with platinum(IV). Orotonation of coordinated amidine

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Abstract

The electronic structures of amidine CH3C(NH)NH2 and its complex [Pt(NH3)5{CH3C(NH)NH2}]4+ are studied by the semiempirical CNDO method and by the ab initio Hartree-Fock-Roothaan method using the effective core potential for the platinum atom by the GAUSSIAN-92 program. It is shown that in free amidine the protonation of the NH group is energetically more profitable than the protonation of the NH2 group. Formation of the amidine-platinum(IV) ion complex is accompanied by a considerable redistribution of electron density in amidine atoms and bonds. In the above complex, the amidine NH2 group exhibits enhanced protophilic properties.

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Authors
  1. N. S. Panina
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  2. Yu. N. Kukushkin
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Additional information

St. Petersburg State Technological Institute (Technical University). Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 2, pp. 220–224, March–April, 1996.

Translated by I. Izvekova

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Panina, N.S., Kukushkin, Y.N. Electronics structures of amidine and its complex with platinum(IV). Orotonation of coordinated amidine. J Struct Chem 37, 192–195 (1996). https://doi.org/10.1007/BF02591045

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  • DOI: https://doi.org/10.1007/BF02591045

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