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On the Structures, Lifetimes, and Infrared Spectra of Alkylmercury Hydrides

Authors

  • Dr. Abdessamad Benidar,

    Corresponding author
    1. Institut de Physique de Rennes, UMR 6251 CNRS Université de Rennes 1, Campus de Beaulieu 35042 Rennes Cedex (France)
    • Abdessamad Benidar, Institut de Physique de Rennes, UMR 6251 CNRS Université de Rennes 1, Campus de Beaulieu 35042 Rennes Cedex (France)

      Jean-Claude Guillemin, Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

      Otilia Mó, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)

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  • Dr. M. Merced Montero-Campillo,

    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)
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  • Dr. Al Mokhtar Lamsabhi,

    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)
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  • Prof. Manuel Yáñez,

    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)
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  • Dr. Michaelle Bouilloud,

    1. Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Universités Paris Est Créteil (UPEC) et Paris Diderot (UPD), Créteil (France)
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  • Dr. Jean-Claude Guillemin,

    Corresponding author
    1. Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)
    • Abdessamad Benidar, Institut de Physique de Rennes, UMR 6251 CNRS Université de Rennes 1, Campus de Beaulieu 35042 Rennes Cedex (France)

      Jean-Claude Guillemin, Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

      Otilia Mó, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)

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  • Prof. Otilia Mó

    Corresponding author
    1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)
    • Abdessamad Benidar, Institut de Physique de Rennes, UMR 6251 CNRS Université de Rennes 1, Campus de Beaulieu 35042 Rennes Cedex (France)

      Jean-Claude Guillemin, Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)

      Otilia Mó, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049 Madrid (Spain)

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Abstract

A series of six small alkylmercury hydrides of the general formula RHgH with R=methyl, ethyl, n-propyl, isopropyl, n-butyl, and 3-butenyl were obtained by reduction in vacuo of the corresponding mercury halide with tributyltin hydride in the presence of a radical inhibitor. These very reactive compounds, which have to be removed from the reaction mixture as they are formed, were characterized by 1H NMR and 13C NMR spectroscopy. The IR spectra of n-propyl-, isopropyl-, n-butyl-, and 3-butenylmercury hydride were recorded for the first time. All compounds were then studied by density functional theory calculations on the basis of a recent theoretical assessment for alkylmercury compounds performed by our group. Comparison of the experimental and theoretical results allowed the assignment of the vibrational modes in an unambiguous way, in spite of the low intrinsic stability of some of the derivatives investigated. The experimental procedure implemented for registering the IR spectra of these unstable species in the gas phase allowed us to obtain reasonable estimates of their lifetimes.

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