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

Duvinage, Daniel; Lork, Enno; Grabowsky, Simon; Mebs, Stefan; Beckmann, Jens (2020). Synthesis, Structure and Bonding Analysis of the Zwitterionic PPP-Pincer Complex (6-Ph2P-Ace-5-)2P(O)AuCl2. Crystals, 10(7), p. 564. Molecular Diversity Preservation International MDPI 10.3390/cryst10070564

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The reaction of (6-Ph2P-Ace-5-)2P(O)H with (tht)AuCl3proceeds via elimination oftetrahydrothiophene (tht) and HCl, providing the zwitterionic PPP-pincer complex (6-Ph2P-Ace-5-)2P(O)AuCl2(1) as yellow crystals. The molecular structure of1was established and studied by X-raycrystallography. The electronic structure was computationally analyzed using a comprehensiveset of real-space bonding indicators derived from electron and electron-pair densities, providinginsight 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 covalentinteractions. Partial spatial complementarity between both bonding aspects is suggested by theelectronic properties of the distinctively different Au–Cl bonds.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Grabowsky, Simon

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2073-4352

Publisher:

Molecular Diversity Preservation International MDPI

Language:

English

Submitter:

Simon Grabowsky

Date Deposited:

02 Feb 2021 16:26

Last Modified:

07 Feb 2021 03:01

Publisher DOI:

10.3390/cryst10070564

BORIS DOI:

10.48350/150609

URI:

https://boris.unibe.ch/id/eprint/150609

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