Comment on "A quantitative definition of hypervalency" by M. C. Durrant, Chem. Sci , 2015, 6 , 6614

Chemical Science
R D Harcourt, Thomas M Klapötke

Abstract

Consideration is given to (electronically) hypervalent increased-valence structures, which possess 2c-1e bonds, fractional 2c-2e bonds, and usually normal 2c-2e bonds. For singlet-spin electron-rich systems, increased-valence structures, with Heitler-London 2c-2e bond wavefunctions, are equivalent to resonance between non-hypervalent Kekulé and Dewar (or singlet diradical) type Lewis structures. Dewar structures are not considered in the Chem. Sci. 2015, 6, 6614 Edge article on hypervalency. Using one-electron delocalizations from lone-pair atomic orbitals into separate bonding molecular orbitals, increased-valence structures for PCl5, O3, SO42-, NO3-, N2O4 and SN2 reactions are derived from the Edge-article's Kekulé-type Lewis structures, and compared with the Edge article's hypervalent structures with 2c-2e bonds. It is also shown that Durrant's method to determine the γ parameter for XAY-type systems that possess a symmetrical 3c-4e bonding unit is related to the A-atom charge density.

References

May 21, 2010·Journal of the American Chemical Society·Benoit BraidaPhilippe C Hiberty
Mar 1, 2011·The Journal of Physical Chemistry. a·Apostolos Kalemos, Aristides Mavridis
May 28, 2011·The Journal of Physical Chemistry. a·Richard D Harcourt
Feb 1, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Fergus R KnightJ Derek Woollins
Apr 24, 2013·Nature Chemistry·Benoît Braïda, Philippe C Hiberty
Jul 1, 2014·Chemistry : a European Journal·Benoit BraidaPhilippe C Hiberty
Nov 1, 2015·Chemical Science·Marcus C Durrant

❮ Previous
Next ❯

Citations

Jul 31, 2019·Chemistry : a European Journal·Helena KeilDietmar Stalke
Feb 11, 2021·Chemistry : a European Journal·Frank Weinhold
Apr 22, 2020·Chemical Science·Chenting YanMasayoshi Nakano

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.