Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex

The Journal of Physical Chemistry Letters
Anthony W SchlimgenDavid A Mazziotti

Abstract

We examine the recently reported first synthesis of the elusive low-valent vanadium(III) in a vanadium oxo complex with a computation representing 10(21) quantum degrees of freedom. While this computation is intractable with a conventionally constructed wave function, it is performed here by a direct calculation of the system's two-electron reduced density matrix (2-RDM), where the 2-RDM is constrained by nontrivial conditions, known as N-representability conditions, that restrict the 2-RDM to represent an N electron quantum system. We show that the added (reducing) electron becomes entangled among the five pyridine ligands. While smaller calculations predict a metal-centered addition, large-scale 2-RDM calculations show that quantum entanglement redirects the electron transfer to the pyridine ligands, resulting in a ligand-centered addition. Beyond its implications for the synthesis of low-valent vanadium oxo complexes, the result suggests new possibilities for using quantum entanglement to predict and control electron transfer in chemical and biological materials.

References

Aug 21, 2001·Inorganic Chemistry·P H BudzelaarJ H van Lenthe
Apr 12, 2007·Dalton Transactions : an International Journal of Inorganic Chemistry·Kallol RayFrank Neese
Jan 15, 2009·Journal of the American Chemical Society·Susan K HansonDavid L Thorn
Nov 3, 2010·The Journal of Chemical Physics·Loren Greenman, David A Mazziotti
Mar 17, 2011·Physical Review Letters·David A Mazziotti
Dec 14, 2011·Angewandte Chemie·Marco M AllardCláudio N Verani
Sep 28, 2012·Inorganic Chemistry·Amélie KochemFabrice Thomas
May 25, 2013·Inorganic Chemistry·Brian H SolisSharon Hammes-Schiffer
Sep 21, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Linus ChiangMichael P Shaver
Aug 7, 2014·Inorganic Chemistry·Amanda E KingChristopher J Chang
Jan 22, 2015·Dalton Transactions : an International Journal of Inorganic Chemistry·Debashis BasuClaudio N Verani

❮ Previous
Next ❯

Citations

Apr 14, 2017·The Journal of Physical Chemistry. a·Andrew J S ValentineDavid A Mazziotti
Jan 27, 2017·Physical Chemistry Chemical Physics : PCCP·Alexandra R McIsaac, David A Mazziotti
Aug 10, 2017·Scientific Reports·Katsuhiko Higuchi, Masahiko Higuchi
Sep 3, 2017·The Journal of Chemical Physics·Kade Head-Marsden, David A Mazziotti
Feb 10, 2018·The Journal of Chemical Physics·Romit Chakraborty, David A Mazziotti
Oct 20, 2020·Physical Chemistry Chemical Physics : PCCP·Alexandra E Raeber, David A Mazziotti
Dec 17, 2020·Chemical Reviews·Kade Head-MarsdenPrineha Narang
Nov 21, 2017·The Journal of Physical Chemistry. a·Anthony W Schlimgen, David A Mazziotti
Sep 6, 2018·The Journal of Physical Chemistry Letters·S HemmatiyanD A Mazziotti
May 30, 2020·The Journal of Physical Chemistry Letters·Jan-Niklas BoynDavid A Mazziotti
May 18, 2018·The Journal of Physical Chemistry. a·Jason M Montgomery, David A Mazziotti
May 30, 2020·The Journal of Physical Chemistry. a·Kade Head-Marsden, David A Mazziotti
Nov 11, 2020·The Journal of Physical Chemistry. a·Jason M MontgomeryDavid A Mazziotti
Dec 29, 2020·The Journal of Physical Chemistry Letters·Daniel GibneyDavid A Mazziotti
Sep 20, 2020·Journal of the American Chemical Society·Airi KawamuraJohn S Anderson
Oct 7, 2021·The Journal of Physical Chemistry Letters·Anna O SchoutenDavid A Mazziotti

❮ 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.