Understanding the extraordinary deshielding of 129Xe in a permetallated cryptophane by relativistic DFT

Chemistry : a European Journal
Alessandro Bagno, Giacomo Saielli

Abstract

Shift change: Relativistic ZORA DFT calculations highlight the various factors (solvent effect, spin-orbit coupling, number and type of metal centres) responsible of the extraordinarily large deshielding of xenon encapsulated in a metallated cryptophane (see figure).

References

Sep 6, 2001·Proceedings of the National Academy of Sciences of the United States of America·M M SpenceP G Schultz
Nov 29, 2005·Angewandte Chemie·Christian HiltyAlexander Pines
Oct 5, 2006·Journal of the American Chemical Society·Qian WeiIvan J Dmochowski
Aug 7, 2007·Journal of the American Chemical Society·Heather A FogartyJean-Pierre Dutasta
Aug 26, 2009·The Journal of Physical Chemistry. B·Zackary I ClevelandBastiaan Driehuys
Apr 16, 2010·Journal of the American Chemical Society·Tyler MeldrumAlexander Pines
Oct 21, 2010·Journal of the American Chemical Society·Robert M FairchildPatrick Berthault
Mar 16, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Gaspard HuberPatrick Berthault
Jun 1, 2011·Chemical Science·Garry K SewardIvan J Dmochowski

❮ Previous
Next ❯

Citations

May 31, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Stefano TodiscoPiero Mastrorilli
Mar 25, 2020·Inorganic Chemistry·Kang DuIvan J Dmochowski
Oct 15, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jabadurai Jayapaul, Leif Schröder
Feb 12, 2015·Journal of the American Chemical Society·Juho RoukalaVille-Veikko Telkki

❮ 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.