Concepedia

Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to π‐Backbond

Laura Nunes dos Santos Comprido, Johannes E. M. N. Klein, Gerald Knizia, Johannes Kästner, A. Stephen K. Hashmi

Chemistry - A European Journal · 2015 · 74 citations · 43 references

DOI

Concepts

Abstract

We herein report a computational study of the bonding in gold(I) vinylidene complexes and compare them to their carbene and CO analogues. The relevance of these intermediates is analysed for the intramolecular cyclisation leading to vinyl sulfonates.

References

43

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

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Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

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Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations

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