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Virial-statistical method of calculating atomic and molecular energies

4. Stabilities of carbonyl and carbonyl hydride complexes of transition metals

  • Physical Chemistry
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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    Calculations of the atomization energies of Cr(CO)6, Fe(CO)5, Mo(CO)6, Ni(CO)4, MnH(CO)5, FeH2(CO)4, and CoH(CO)4 molecules have been carried out by the virial-statistical method.

  2. 2.

    The results of these calculations suggest that the stabilities decrease in the order MnH(CO)5 > FeH2(CO)4 > CoH (CO)4, a conclusion consistent with experimental data.

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Literature cited

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 16–19, January, 1977.

I would like to thank D. A. Bochvar for a discussion of these results.

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Borisov, Y.A. Virial-statistical method of calculating atomic and molecular energies. Russ Chem Bull 26, 8–11 (1977). https://doi.org/10.1007/BF00921481

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  • DOI: https://doi.org/10.1007/BF00921481

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