Bidentate amino- and iminophosphine ligands in mono- and dinuclear gold(I) complexes: Synthesis, structures and AuCl displacement by AuC6F5

Williams, D. Bradley G.; Traut, Telisha; Kriel, Frederik H.; Zyl, Werner E. van

doi:10.1016/j.inoche.2007.01.022

Cited by 18 publications

(20 citation statements)

References 23 publications

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“…They are widely used in catalytic asymmetric hydrogenation, 89 and their amphiphilic hard−soft character is important to their coordination chemistry. 90 While tools such as computed molecular electrostatic potentials capture the local acid−base character of such molecules, measuring this "local hardness" remains a challenge. 91,92 Figure 3 shows the aminophosphine surface delocalization evaluated from the CCSD/6-311++G(2d,2p) density matrix at the B3LYP/6-311++G(2d,2p) equilibrium geometry.…”

Section: Resultsmentioning

confidence: 99%

Electron Delocalization Range in Atoms and on Molecular Surfaces

Janesko

Wiberg

Scalmani³

et al. 2016

J. Chem. Theory Comput.

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The electron delocalization range function EDR(r⃗; d) (J. Chem. Phys. 2014, 141, 144104) quantifies the extent to which an electron at point r⃗ in a calculated wave function delocalizes over distance d. This work illustrates how atomic averages of the EDR, and plots of the EDR on molecule surfaces, provide a chemically intuitive picture of the sizes of occupied orbital lobes in different regions. We show how the surface and atomic delocalization distinguish aminophosphine ligand's hard N and soft P lone pairs, distinguish the site preference for Ag(+) cation binding to conjugated oligomers, and provide information that is different from and complementary to conjugation lengths. Applications to strong correlation and the prototropic tautomerization of phosphinylidenes R1R2HPO illustrates how the surface and atomic delocalization can work with other tools to provide a nuanced picture of reactivity.

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Section: Resultsmentioning

confidence: 99%

Electron Delocalization Range in Atoms and on Molecular Surfaces

Janesko

Wiberg

Scalmani³

et al. 2016

J. Chem. Theory Comput.

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“…The geometry around gold is virtually linear and coordination sites are occupied by phosphorus and chloride atoms with P-Au-Cl bond ~175 which is normally observed for bicoordinated gold(I) complexes (Zhang et al 2003;Williams et al 2007;Fonteh et al 2015). …”

Section: Synthesis and Characterizationmentioning

confidence: 93%

Gold(I) complex of 1,1′-bis(diphenylphosphino) ferrocene–quinoline conjugate: a virostatic agent against HIV-1

et al. 2016

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“…For previous work on the preparation of imine-based ligands, by our group, see: Williams et al (2007). For related structures and their preparation, see: Elslager et al (1956); Vennila et al (2010); Jafarpour et al (2011).…”

Section: Related Literaturementioning

confidence: 99%

“…The title compound, 2-(4-bromobenzylideneamino)ethanol, was prepared and crystallized during our ongoing research on nitrogen-based ligands (Williams et al, 2007). The molecule belongs to the class of compounds known as the Schiff bases (Tidwell, 2007).…”

Section: S1 Commentmentioning

confidence: 99%