Polarised Covalent Thorium(IV)- and Uranium(IV)-Silicon Bonds

Benjamin Luke Leonard Réant; Victoria Berryman; John Seed; Annabel Basford; Alasdair Formanuik; Ashley Wooles; Nikolas Kaltsoyannis; Stephen Liddle; David P Mills

doi:10.1039/D0CC06044E

Polarised Covalent Thorium(IV)- and Uranium(IV)-Silicon Bonds

Benjamin Luke Leonard Réant, Victoria Berryman, John Seed, Annabel Basford, Alasdair Formanuik, Ashley Wooles, Nikolas Kaltsoyannis, Stephen Liddle, David P Mills

Research output: Contribution to journal › Article › peer-review

Abstract

We report the synthesis and characterisation of isostructural thorium(IV)- and uranium(IV)-silanide actinide (An) complexes, providing an opportunity to directly compare Th-Si and U-Si chemical bonds. Quantum chemical calculations show significant and surprisingly similar An%:Si%, 7s-, 6d-, and 5f-orbital contributions from both elements in polarised covalent An-Si bonds, and marginally greater covalency in the U-Si vs Th-Si linkages.

Original language	English
Pages (from-to)	12620–12623
Number of pages	4
Journal	Chemical Communications
Volume	56
Issue number	83
Early online date	14 Sept 2020
DOIs	https://doi.org/10.1039/D0CC06044E
Publication status	Published - 25 Oct 2020

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Dalton Nuclear Institute

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@article{cb522b6958f54e59a0b8c69ef84591aa,

title = "Polarised Covalent Thorium(IV)- and Uranium(IV)-Silicon Bonds",

abstract = "We report the synthesis and characterisation of isostructural thorium(IV)- and uranium(IV)-silanide actinide (An) complexes, providing an opportunity to directly compare Th-Si and U-Si chemical bonds. Quantum chemical calculations show significant and surprisingly similar An\%:Si\%, 7s-, 6d-, and 5f-orbital contributions from both elements in polarised covalent An-Si bonds, and marginally greater covalency in the U-Si vs Th-Si linkages.",

author = "R{\'e}ant, \{Benjamin Luke Leonard\} and Victoria Berryman and John Seed and Annabel Basford and Alasdair Formanuik and Ashley Wooles and Nikolas Kaltsoyannis and Stephen Liddle and Mills, \{David P\}",

note = "Funding Information: We thank the University of Manchester for a PhD studentship for B. L. L. R. (Nuclear Endowment), a postdoctoral fellowship to V. E. J. B., and for access to the Computational Shared Facility and associated support services. We also thank the EPSRC (EP/P002560/1, EP/N022122/1, EP/P001386/1, EP/ M027015/1) and ERC (CoG612724) for funding. We thank the EPSRC UK National Electron Paramagnetic Resonance Service for access to SQUID magnetometry. We would also like to thank Prof. Christoph Marschner and Dr Johann Hlina for valuable Publisher Copyright: {\textcopyright} 2020 The Royal Society of Chemistry.",

year = "2020",

month = oct,

day = "25",

doi = "10.1039/D0CC06044E",

language = "English",

volume = "56",

pages = "12620–12623",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Polarised Covalent Thorium(IV)- and Uranium(IV)-Silicon Bonds

AU - Réant, Benjamin Luke Leonard

AU - Berryman, Victoria

AU - Seed, John

AU - Basford, Annabel

AU - Formanuik, Alasdair

AU - Wooles, Ashley

AU - Kaltsoyannis, Nikolas

AU - Liddle, Stephen

AU - Mills, David P

N1 - Funding Information: We thank the University of Manchester for a PhD studentship for B. L. L. R. (Nuclear Endowment), a postdoctoral fellowship to V. E. J. B., and for access to the Computational Shared Facility and associated support services. We also thank the EPSRC (EP/P002560/1, EP/N022122/1, EP/P001386/1, EP/ M027015/1) and ERC (CoG612724) for funding. We thank the EPSRC UK National Electron Paramagnetic Resonance Service for access to SQUID magnetometry. We would also like to thank Prof. Christoph Marschner and Dr Johann Hlina for valuable Publisher Copyright: © 2020 The Royal Society of Chemistry.

PY - 2020/10/25

Y1 - 2020/10/25

N2 - We report the synthesis and characterisation of isostructural thorium(IV)- and uranium(IV)-silanide actinide (An) complexes, providing an opportunity to directly compare Th-Si and U-Si chemical bonds. Quantum chemical calculations show significant and surprisingly similar An%:Si%, 7s-, 6d-, and 5f-orbital contributions from both elements in polarised covalent An-Si bonds, and marginally greater covalency in the U-Si vs Th-Si linkages.

AB - We report the synthesis and characterisation of isostructural thorium(IV)- and uranium(IV)-silanide actinide (An) complexes, providing an opportunity to directly compare Th-Si and U-Si chemical bonds. Quantum chemical calculations show significant and surprisingly similar An%:Si%, 7s-, 6d-, and 5f-orbital contributions from both elements in polarised covalent An-Si bonds, and marginally greater covalency in the U-Si vs Th-Si linkages.

UR - https://www.scopus.com/pages/publications/85094221258

U2 - 10.1039/D0CC06044E

DO - 10.1039/D0CC06044E

M3 - Article

SN - 1359-7345

VL - 56

SP - 12620

EP - 12623

JO - Chemical Communications

JF - Chemical Communications

IS - 83

ER -

Polarised Covalent Thorium(IV)- and Uranium(IV)-Silicon Bonds

Abstract

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