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Exploring an intermolecular Ge/B frustrated Lewis pair from a multicentre Zintl Lewis base

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Abstract

The possible existence of nonagermanide deltahedral Zintl ion (Ge94−) as a nine-folded Lewis base is investigated from first principles calculations. It is observed that all nine centres, Ge94−, can make an adduct with Lewis acid. The presence of lone pairs is confirmed from the 1c–2e AdNDP calculation. It is further noticed that the bulky group functionalized organo-Zintl cluster, [Ge9(tBu)3]− , can potentially act as a Lewis base and can make an intermolecular frustrated Lewis pair (FLP) with a well-known Lewis acid Tris[2,4,6-tris(trifluoromethyl)phenyl] borane, [B{C6H2(CF3)3}3].

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Acknowledgements

Authors feel deeply honoured to contribute their work in this special issue dedicated to their beloved teacher, Prof. Pratim K. Chattaraj on his 65th birthday. Financial support from the DST SERB grant (CRG/2019/001125) is gratefully acknowledged.

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Authors and Affiliations

  1. School of Applied Science and Humanities, Haldia Institute of Technology, ICARE Complex, Haldia, West Bengal, 721657, India

    Swapan Sinha & Santanab Giri

  2. Maulana Abul Kalam Azad University of Technology, Haringhata, 741249, India

    Swapan Sinha

  3. Faculty of Science, Jatragachi Pranabananda High School, New Town, Kolkata, 700161, India

    Arindam Chakraborty

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  1. Swapan Sinha
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Swapan Sinha did all the necessary calculations. Santanab Giri and Arindam Chakraborty analysed the results and prepared the manuscript.

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Correspondence to Arindam Chakraborty.

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Sinha, S., Giri, S. & Chakraborty, A. Exploring an intermolecular Ge/B frustrated Lewis pair from a multicentre Zintl Lewis base. Theor Chem Acc 142, 21 (2023). https://doi.org/10.1007/s00214-023-02961-6

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