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A Tetrapositive Metal Ion in the Gas Phase: Thorium(IV) Coordinated by Neutral Tridentate Ligands

Authors

  • Dr. Yu Gong,

    1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)
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  • Dr. Han-Shi Hu,

    1. Department of Chemistry & Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China)
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  • Dr. Guoxin Tian,

    1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)
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  • Dr. Linfeng Rao,

    1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)
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  • Prof. Dr. Jun Li,

    Corresponding author
    1. Department of Chemistry & Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China)
    2. William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory (USA)
    • Jun Li, Department of Chemistry & Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China)

      John K. Gibson, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)

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  • Dr. John K. Gibson

    Corresponding author
    1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)
    • Jun Li, Department of Chemistry & Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China)

      John K. Gibson, Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA)

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  • This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry, at LBNL under Contract No. DE-AC02-05CH11231 (Y.G., G.T., L.R., J.K.G.) and at PNNL under Contract No. DE-AC05-76RL01830 (J.L.). The theoretical work by H.S.H. and J.L. was also supported by NSFC (20933003 and 91026003) of China. The calculations were done using Tsinghua National Laboratory for Information Science and Technology and the Molecular Science Computing capability at the EMSL, a National scientific user facility located at the PNNL, operated for the Department of Energy by Battelle.

Abstract

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Neun Sauerstoffatome umgeben das Th4+-Ion im chiralen Komplex mit drei neutralen Tetramethyl-3-oxaglutaramid-Liganden (L), der in der Gasphase durch Elektrosprayionisation erhalten wurde (siehe Graph und Bild; O rot, N blau, C grau). Nach quantenchemischen Studien nehmen mit der Zahl der koordinierenden Liganden die Th-O-Bindungsenergien und -Bindungsordnungen ab und die Bindungslängen zu.

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