Concepedia

Frustrated Lewis pair catalyzed hydrodehalogenation of benzyl-halides

Tongtong Wang, Maotong Xu, Andrew R. Jupp, Shi-Ming Chen, Zheng‐Wang Qu, Stefan Grimme, Douglas W. Stephan

Chemical Communications · 2021 · 14 citations · 31 references

DOIFull text

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Concepts

Abstract

]. This species acts in analogy to a FLP to cooperatively activate C-X bond (X = Cl, Br, I) of benzyl-halides delivering hydride and generating the corresponding ammonium halide salts.

References

31

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

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

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

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Effect of the damping function in dispersion corrected density functional theory

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

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COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.4K citations

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Accurate Coulomb-fitting basis sets for H to Rn

Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations

, , +12