Ab Initio Study of the Stability and Vibrational Spectra of Plumbane, 
Methylplumbane, and Homologous compounds

Hein, Thomas A.; Thiel, Walter; Lee, Timothy J.

doi:10.1021/j100119a021

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Ab Initio Study of the Stability and Vibrational Spectra of Plumbane, Methylplumbane, and Homologous compounds

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Hein, T. A., Thiel, W., & Lee, T. J. (1993). Ab Initio Study of the Stability and Vibrational Spectra of Plumbane, Methylplumbane, and Homologous compounds. The Journal of Chemical Physics, 97(17), 4381-4385. doi:10.1021/j100119a021.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0028-1862-2

Abstract

Ab initio calculations on the title compounds are reported at the level of self-consistent-field theory, Møller-Plesset perturbation theory, and coupled-cluster theory (SCF, MP2, and CCSD(T), respectively). The thermodynamic stability of MH₄ and H₃MCH₃ as well as the kinetic stability of MH₄ with respect to loss of H₂ are found to decrease with increasing atomic number of M = Si–Pb. However, PbH₄ and H₃PbCH₃ should be long-lived enough to be observable in the gas phase. the infrared spectra of these compounds are predicted. Trends in the calculated properties are discussed for M = Si–Pb.