Metal-Involving Chalcogen Bond. The Case of Platinum(II) Interaction with Se/Te-Based σ-Hole Donors

2021 ◽  
Author(s):  
Anton V. Rozhkov ◽  
Eugene A. Katlenok ◽  
Margarita V. Zhmykhova ◽  
Alexander Yu. Ivanov ◽  
Maxim L. Kuznetsov ◽  
...  
Keyword(s):  
Chalcogen Bond

scholarly journals Chalcogen Bond versus Weak Hydrogen Bond: Changing Contributions in Determining the Crystal Packing of [1,2,5]-Chalcogenadiazole-Fused Tetracyanonaphthoquinodimethanes

2021 ◽  
Vol 03 (02) ◽  
pp. 090-096
Author(s):  
Yusuke Ishigaki ◽  
Kota Asai ◽  
Takuya Shimajiri ◽  
Tomoyuki Akutagawa ◽  
Takanori Fukushima ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Density Functional ◽  
Molecular Design ◽  
Crystal Packing ◽  
Cyano Group ◽  
Density Functional Theory Calculations ◽  
Weak Hydrogen Bond ◽  
Functional Theory ◽  
Chalcogen Bond ◽  
Thiadiazole Ring

The crystal structures of a series of tetracyanonaphthoquinodimethanes fused with a selenadiazole or thiadiazole ring revealed that their molecular packing is determined mainly by two intermolecular interactions: chalcogen bond (ChB) and weak hydrogen bond (WHB). ChB between Se and a cyano group dictates the packing of selenadiazole derivatives, whereas the S-based ChB is much weaker and competes with WHB in thiadiazole analogues. This difference can be explained by different electrostatic potentials as revealed by density functional theory calculations. A proper molecular design that weakens WHB can change the contribution of ChB in determining the crystal packing of thiadiazole derivatives.

scholarly journals Front Cover: A Quantitative Molecular Orbital Perspective of the Chalcogen Bond (4/2021)

ChemistryOpen ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 387-387
Author(s):  
Lucas Azevedo Santos ◽  
Stephanie C. C. Lubbe ◽  
Trevor A. Hamlin ◽  
Teodorico C. Ramalho ◽  
F. Matthias Bickelhaupt
Keyword(s):  
Molecular Orbital ◽  
Front Cover ◽  
Chalcogen Bond

scholarly journals A Quantitative Molecular Orbital Perspective of the Chalcogen Bond

ChemistryOpen ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 391-401 ◽  
Author(s):  
Lucas Azevedo Santos ◽  
Stephanie C. C. Lubbe ◽  
Trevor A. Hamlin ◽  
Teodorico C. Ramalho ◽  
F. Matthias Bickelhaupt
Keyword(s):  
Molecular Orbital ◽  
Chalcogen Bond

Interaction topologies of the S⋯O chalcogen bond: the conformational equilibrium of the cyclohexanol⋯SO2 cluster

2021 ◽  
Author(s):  
Yan Jin ◽  
Rizalina T. Saragi ◽  
Marcos Juanes ◽  
Gang Feng ◽  
Alberto Lesarri
Keyword(s):  
Hydrogen Bonds ◽  
Conformational Equilibrium ◽  
Chalcogen Bond

The versatile SO2 engages simultaneously in a S⋯O chalcogen bond and C–H⋯O hydrogen bonds when interacting with cyclohexanol.

Base-Free Synthesis and Synthetic Application of Novel 3-(organochalcogenyl)prop-2-yn-1-yl Esters: Promising Anticancer Agents

Synthesis ◽  
2021 ◽  
Author(s):  
Fabiane Gritzenco ◽  
Jean Carlo Kazmierczak ◽  
Thiago Anjos ◽  
Adriane Sperança ◽  
Maura Luise Bruckchem Peixoto ◽  
...  
Keyword(s):  
Anticancer Agents ◽  
Cross Coupling ◽  
Coupling Reactions ◽  
Chalcogen Bond ◽  
Cross Coupling Reactions ◽  
Air Atmosphere ◽  
Carbon Carbon Bonds ◽  
Palladium Catalyzed ◽  
Synthetic Application

This manuscript portrays the CuI-catalyzed Csp-chalcogen bond formation through cross-coupling reactions of propynyl esters and diorganyl dichalcogenides by using DMSO as solvent, at room temperature, under base-free and open-to-air atmosphere. Generally, the reactions have proceeded very smoothly, being tolerant to range of substituents present in both substrates, affording the novel 3-(organochalcogenyl)prop-2-yn-1-yl esters in moderate to good yields. Noteworthy, the 3-(butylselanyl)prop-2-yn-1-yl benzoate proved to be useful as synthetic precursor in palladium-catalyzed Suzuki and Sonogashira type cross-coupling reactions by replacing the carbon-chalcogen bond by new carbon-carbon bonds. Moreover, the 3-(phenylselanyl)prop-2-yn-1-yl benzoate has shown promising in vitro activity against glioblastoma cancer cells.

Carbon–hydrogen versus carbon–chalcogen bond cleavage of furan, thiophene and selenophene by ansa molybdenocene complexes

Polyhedron ◽  
2006 ◽  
Vol 25 (2) ◽  
pp. 499-512 ◽  
Author(s):  
David G. Churchill ◽  
Brian M. Bridgewater ◽  
Guang Zhu ◽  
Keliang Pang ◽  
Gerard Parkin
Keyword(s):  
Bond Cleavage ◽  
Chalcogen Bond

A highly active and selective chalcogen bond-mediated perchlorate channel

2021 ◽  
Author(s):  
Lin Yuan ◽  
Peng Jiang ◽  
Jingliang Hu ◽  
Huan Zeng ◽  
Yanping Huo ◽  
...  
Keyword(s):  
Chalcogen Bond ◽  
Highly Active

The compounds with a lanthanoid-chalcogen bond

1995 ◽  
pp. 424-435
Author(s):  
M. N. Bochkarev ◽  
L. N. Zakharov ◽  
G. S. Kalinina
Keyword(s):  
Chalcogen Bond

Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy

2020 ◽  
Vol 22 (7) ◽  
pp. 3817-3824 ◽  
Author(s):  
Vijith Kumar ◽  
Yijue Xu ◽  
César Leroy ◽  
David L. Bryce
Keyword(s):  
Solid State ◽  
Magnetic Resonance ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
Chalcogen Bond ◽  
Direct Investigation

We report a multifaceted experimental and computational study of three self-complementary chalcogen-bond donors as well as a series of seven chalcogen bonded cocrystals.

Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties

ChemPhysChem ◽  
2019 ◽  
Vol 21 (1) ◽  
pp. 26-31 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera
Keyword(s):  
Electron Density ◽  
Bond Energies ◽  
Chalcogen Bond
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