Abstract
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.
Highlights
We introduced bis(6-diphenylphosphinoacenaphth-5-yl)phosphine oxide (6-Ph2 P-Ace5-)2 P(O)H (I) as a novel ligand in coordination chemistry [1]
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
Like many other secondary phosphine oxides, I is in equilibrium with the corresponding phosphinous acid (6-Ph2 P-Ace-5-)2 POH (I’), from which it proved to react with nickel and palladium compounds to give a number of well-defined
Summary
We introduced bis(6-diphenylphosphinoacenaphth-5-yl)phosphine oxide (6-Ph2 P-Ace5-) P(O)H (I) as a novel ligand in coordination chemistry [1]. Topological, surface, and integrated electronic bonding parameters were determined according to the Atoms-In-Molecules (AIM), [2] non-covalent interactions (NCI) [3]. Analysis of the reduced density gradient, s(r) the NCI method, is used to visualize (extended) areas of non-covalent bonding aspects and turned. Mapping the ED times covalent bonding aspects and turned out to be useful to detect contacts which are not discernible by the sign of the second eigenvalue of the Hessian (sign(λ2 )ρ) on the iso-surfaces of s(r) facilitates the AIM [8]. The combination of AIM, NCI, and ELI-D provides a wealth of how bonding electrons are distributed over adjacent atoms forming a bond. To characterize the polar-covalent Au–Cl, Au–P, and P–O− bond types
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
