Computational Determination of pKa(C–H) in 3d Transition Metal-Methyl Complexes-Reference-Cited by-同舟云学术

Computational Determination of pKa(C–H) in 3d Transition Metal-Methyl Complexes

Published:2020-07-20 Issue:15 Volume:39 Page:2803-2812
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Grumbles William M.¹^ORCID,Cundari Thomas R.¹^ORCID

Affiliation:

1. Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, 1155 Union Circle, #305070, Denton, Texas 76203-5017, United States

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.organomet.0c00220

Reference21 articles.

1. Theoretical Study of Two Possible Side Reactions for Reductive Functionalization of 3d Metal–Methyl Complexes by Hydroxide Ion: Deprotonation and Metal–Methyl Bond Dissociation

2. Chemistry in super acids. I. Hydrogen exchange and polycondensation of methane and alkanes in FSO3H-SbF5 ("magic acid") solution. Protonation of alkanes and the intermediacy of CH5+ and related hydrocarbon ions. The high chemical reactivity of "paraffins" in ionic solution reactions

3. Activation of C−H Bonds by Metal Complexes

4. The Essential Role of Bond Energetics in C–H Activation/Functionalization

5. Kinetic acidity of methane

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