Participation of S and Se in hydrogen and chalcogen bonds

S Scheiner - CrystEngComm, 2021 - pubs.rsc.org
This article reviews the history and the current state of knowledge concerning the ability of
the heavy chalcogen atoms S and Se, and to some extent Te, to participate in a H-bond as …

A universal quantitative descriptor of the dispersion interaction potential

R Pollice, P Chen - Angewandte Chemie International Edition, 2019 - Wiley Online Library
London dispersion, universally attractive forces originating from fluctuating dipoles, is
omnipresent in molecules. While its understanding has recently made tremendous progress …

CHAL336 benchmark set: How well do quantum-chemical methods describe chalcogen-bonding interactions?

N Mehta, T Fellowes, JM White… - Journal of Chemical …, 2021 - ACS Publications
We present the CHAL336 benchmark set—the most comprehensive database for the
assessment of chalcogen-bonding (CB) interactions. After careful selection of suitable …

Towards Anion Recognition and Precipitation with Water-Soluble 1, 2, 4-Selenodiazolium Salts: Combined Structural and Theoretical Study

AA Artemjev, AP Novikov, GM Burkin… - International Journal of …, 2022 - mdpi.com
The synthesis and structural characterization of a series of supramolecular complexes of
bicyclic cationic pyridine-fused 1, 2, 4-selenodiazoles with various anions is reported. The …

Indenyl and Allyl Palladate Complexes Bearing N‐Heterocyclic Carbene Ligands: an Easily Accessible Class of New Anticancer Drug Candidates

T Scattolin, I Pessotto, E Cavarzerani… - European Journal of …, 2022 - Wiley Online Library
The mechanochemical syntheses of allyl and indenyl palladate complexes are reported. All
compounds were obtained in quantitative yields and microanalytically pure without the need …

From Chalcogen Bonding to S–π Interactions in Hybrid Perovskite Photovoltaics

W Luo, SJ Kim, N Lempesis, L Merten… - Advanced …, 2024 - Wiley Online Library
The stability of hybrid organic–inorganic halide perovskite semiconductors remains a
significant obstacle to their application in photovoltaics. To this end, the use of low …

Se⋯ π Chalcogen Bonding in 1, 2, 4-Selenodiazolium Tetraphenylborate Complexes

AA Sapronov, AS Kubasov, VN Khrustalev… - Symmetry, 2023 - mdpi.com
The series of substituted 1, 2, 4-selenodiazolium tetraphenylborate complexes were
synthesized via cyclization between 2-pyridylselenylchloride, followed by the anion …

Selenium chalcogen bonds are involved in protein–carbohydrate recognition: A combined PDB and theoretical study

JAF Riveras, A Frontera, A Bauzá - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
In this manuscript the ability of selenium carbohydrates to undergo chalcogen bonding
(ChB) interactions with protein residues has been studied at the RI-MP2/def2-TZVP level of …

Exploring supramolecular assembly space of cationic 1, 2, 4-selenodiazoles: Effect of the substituent at the carbon atom and anions

MV Grudova, AS Kubasov, VN Khrustalev, AS Novikov… - Molecules, 2022 - mdpi.com
Chalcogenodiazoles have been intensively studied in recent years in the context of their
supramolecular chemistry. In contrast, the newly discovered cationic 1, 2, 4-selenodiazole …

Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study

L de Azevedo Santos, TC Ramalho… - Journal of …, 2021 - Wiley Online Library
We have performed a hierarchical ab initio benchmark and DFT performance study of
D2Ch••• A− chalcogen bonds (Ch= S, Se; D, A= F, Cl). The ab initio benchmark study is …