Seventeen-Coordinate Actinide Helium Complexes

Angewandte Chemie
Nikolas Kaltsoyannis

Abstract

The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe173+ , ThHe174+ , and PaHe174+ are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHen3+ (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R2 >0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies.

References

Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Feb 23, 2007·Angewandte Chemie·Andreas HermannPeter Schwerdtfeger
Feb 23, 2013·BMJ Case Reports·Peter Ng
Jul 31, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Abigail R E Mountain, Nikolas Kaltsoyannis
Oct 14, 2014·Dalton Transactions : an International Journal of Inorganic Chemistry·Qian-Rui HuangNikolas Kaltsoyannis
Apr 18, 2015·Angewandte Chemie·Polly L ArnoldNikolas Kaltsoyannis
Jan 20, 2016·Dalton Transactions : an International Journal of Inorganic Chemistry·Nikolas Kaltsoyannis
Jun 9, 2016·Journal of the American Chemical Society·David PollakKlaus-Richard Pörschke
Jul 22, 2016·Nature Chemistry·Michał S DutkiewiczPolly L Arnold
Jul 1, 2015·Chemical Science·Danil E SmilesTrevor W Hayton

❮ Previous
Next ❯

Citations

Jun 20, 2018·Chemistry : a European Journal·Eiki OzamaMotoyuki Shiga
May 16, 2018·Physical Review. E·Lukas TrombachPeter Schwerdtfeger
Jun 19, 2019·Chemical Communications : Chem Comm·Meenakshi Joshi, Tapan K Ghanty
Feb 16, 2021·Physical Chemistry Chemical Physics : PCCP·Lin YangNikolas Kaltsoyannis
Mar 29, 2018·The Journal of Physical Chemistry Letters·Dmitrii V SemenokArtem R Oganov
Nov 30, 2021·Physical Chemistry Chemical Physics : PCCP·Juan WangWei-Qun Shi

❮ 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.

Related Papers

Dalton Transactions : an International Journal of Inorganic Chemistry
Han WuWei-Qun Shi
Physical Chemistry Chemical Physics : PCCP
Mateus A M PaivaBreno R L Galvão
Dalton Transactions : an International Journal of Inorganic Chemistry
Andrew Kerridge, Nikolas Kaltsoyannis
© 2022 Meta ULC. All rights reserved