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Synthesis, Structure and Bonding Analysis of the Zwitterionic PPP-Pincer Complex (6-Ph2P-Ace-5-)2P(O)AuCl2

1
Institut für Anorganische Chemie und Kristallographie, Universität Bremen, Leobener Straße 7, 28359 Bremen, Germany
2
Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, 3012 Bern, Switzerland
3
Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany
*
Authors to whom correspondence should be addressed.
Crystals 2020, 10(7), 564; https://doi.org/10.3390/cryst10070564
Received: 29 May 2020 / Revised: 15 June 2020 / Accepted: 27 June 2020 / Published: 1 July 2020
The reaction of (6-Ph2P-Ace-5-)2P(O)H with (tht)AuCl3 proceeds via elimination of tetrahydrothiophene (tht) and HCl, providing the zwitterionic PPP-pincer complex (6-Ph2P-Ace-5-)2P(O)AuCl2 (1) as yellow crystals. The molecular structure of 1 was established and studied by X-ray crystallography. The electronic structure was computationally analyzed using a comprehensive set of real-space bonding indicators derived from electron and electron-pair densities, providing insight into the relative contributions of covalent and non-covalent forces to the polar-covalent Au–Cl, Au–P, and P–O bonds; the latter being one of the textbook cases for strongly polarized covalent interactions. Partial spatial complementarity between both bonding aspects is suggested by the electronic properties of the distinctively different Au–Cl bonds. View Full-Text
Keywords: pincer ligands; secondary phosphine oxide; gold complex; real-space bonding indicators pincer ligands; secondary phosphine oxide; gold complex; real-space bonding indicators
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MDPI and ACS Style

Duvinage, D.; Lork, E.; Grabowsky, S.; Mebs, S.; Beckmann, J. Synthesis, Structure and Bonding Analysis of the Zwitterionic PPP-Pincer Complex (6-Ph2P-Ace-5-)2P(O)AuCl2. Crystals 2020, 10, 564.

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