Prediction and characterization of a chalcogen–hydride interaction with metal hybrids as an electron donor in F2CS–HM and F2CSe–HM (M = Li, Na, BeH, MgH, MgCH3) complexes

Literature Information

Publication Date 2011-12-19
DOI 10.1039/C2CP23664H
Impact Factor 3.676
Authors

Qing-Zhong Li, Hui Qi, Ran Li, Xiao-Feng Liu, Wen-Zuo Li, Jian-Bo Cheng


View Original

Abstract

A novel type of σ-hole bonding has been predicted and characterized in F2CS–HM and F2CSe–HM (M = Li, Na, BeH, MgH) complexes at the MP2/aug-cc-pVTZ level. This interaction, termed a chalcogen–hydride interaction, was analyzed in terms of geometric, energetic and spectroscopic features of the complexes. It exhibits similar properties to hydrogen bonding and halogen bonding. The methyl group in metal hydrides makes a positive contribution to the formation of chalcogen–hydride bonded complexes. In the F2CSe–HLi–OH2 complex, the chalcogen–hydride bonding shows synergetic effects with lithium bonding. These complexes have been analyzed with the atoms in molecules (AIM) theory and symmetry adapted perturbation theory (SAPT) method. The results show that the chalcogen–hydride bonding is dominated with an electrostatic interaction.

Related Literature

Tuning spin polarization and spin transport of zigzag graphene nanoribbons by line defects

G. P. Tang, Z. H. Zhang, X. Q. Deng, Z. Q. Fan, H. L. Zhu

2014-10-28 Paper

DOI: 10.1039/C4CP03837A

Timescales of water transport in viscous aerosol: measurements on sub-micron particles and dependence on conditioning history

Jessica W. Lu, Andrew M. J. Rickards, Jim S. Walker, Kerry J. Knox, Rachael E. H. Miles, Jonathan P. Reid

2013-11-29 Paper

DOI: 10.1039/C3CP54233E

Di- and tri-oxalkyl derivatives of a boron dipyrromethene (BODIPY) rotor dye in lipid bilayers

Marie Olšinová, Piotr Jurkiewicz, Michal Pozník, Radek Šachl, Tereza Prausová, Martin Hof, Václav Kozmík, Filip Teplý, Jiří Svoboda, Marek Cebecauer

2014-04-10 Paper

DOI: 10.1039/C4CP00888J

Observing Pt nanoparticle formation at the atomic level during polyol synthesis

Jocenir Boita, Lucas Nicolao, Maria C. M. Alves, Jonder Morais

2014-07-10 Paper

DOI: 10.1039/C4CP01925C

Copper clusters as novel fluorescent probes for the detection and photocatalytic elimination of lead ions

M. A. López-Quintela

2014-08-01 Communication

DOI: 10.1039/C4CP02148G

Structures and optical properties of two phases of SrMgF4

Alexander P. Yelisseyev, Lei Bai, Zheshuai Lin, Alina A. Goloshumova, Sergei I. Lobanov, Dmitry Y. Naumov

2014-11-04 Paper

DOI: 10.1039/C4CP04689G

A novel reduction approach to fabricate quantum-sized SnO2-conjugated reduced graphene oxide nanocomposites as non-enzymatic glucose sensors

Yixing Ye, Panpan Wang, Enmei Dai, Jun Liu, Zhenfei Tian, Changhao Liang, Guosheng Shao

2014-03-28 Communication

DOI: 10.1039/C4CP00554F

Operating mechanisms of electrolytes in magnesium ion batteries: chemical equilibrium, magnesium deposition, and electrolyte oxidation

Dong Young Kim, Younhee Lim, Basab Roy, Young-Gyoon Ryu, Seok-Soo Lee

2014-05-08 Paper

DOI: 10.1039/C4CP01259C

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.