A coordination strategy to realize a sextuply-bonded complex

Literature Information

Publication Date 2017-04-20
DOI 10.1039/C7CP00871F
Impact Factor 3.676
Authors

Kazuya Yamaguchi, Shigeyoshi Sakaki


View Original

Abstract

The synthesis of higher-order multiple bonds is a great challenge in chemistry. However, no stable compound with a sextuple bond has been reported, except for Mo2 in an inert matrix at low temperatures. Herein, we propose a strategy to construct a sextuple bond in a dinuclear transition metal complex based on complete active space second-order perturbation theory (CASPT2) and density functional theory calculations. When the dinuclear core M2 (M = W, Mo, and Re+) is capped by two neutral electron-donating ligands at both M–M ends, a sextuple bond can be realized. The proposed ligands stabilize the M2 core by the coordination, conserve the six bonding orbitals in the occupied space, and suppress the weight of the δ–δ* excited electronic configuration. Calculated large formation energies of these complexes indicate the large possibility of the synthesis. Electronic structures and sextuply bonding interactions were analyzed in detail.

Related Literature

Full structural and electrochemical characterization of Li2Ti6O13 as anode for Li-ion batteries

J. C. Pérez-Flores, C. Baehtz, M. Hoelzel, A. Kuhn, F. García-Alvarado

2011-12-22 Paper

DOI: 10.1039/C2CP23741E

Experimental observation of preferential solvation on a radical ion pair using MARY spectroscopy

Kunal Pal, Daniel R. Kattnig, Günter Grampp, Stephan Landgraf

2012-01-06 Paper

DOI: 10.1039/C2CP23858F

Specific ion effects on the electrochemical properties of cytochromec

Andrea Salis, Edmond Magner

2011-12-22 Paper

DOI: 10.1039/C2CP23401G

Effect of the orientation of nitro group on the electronic transport properties in single molecular field-effect transistors

Yuqing Xu, Bin Cui, Guomin Ji, Dongmei Li

2012-11-14 Paper

DOI: 10.1039/C2CP41480E

Molecular transport of proteins through nanoporous membranes fabricated by interferometric lithography

Roland Faller, Ahmet Palazoglu, Sonia E. Létant, Joseph W. Tringe, Pieter Stroeve

2012-11-14 Paper

DOI: 10.1039/C2CP43400H

Sodium–oxygen batteries with alkyl-carbonate and ether based electrolytes

Jinsoo Kim, Hee-Dae Lim, Hyeokjo Gwon, Kisuk Kang

2013-01-08 Paper

DOI: 10.1039/C3CP43225D

Percolative proton conductivity of sol–gel derived amorphous aluminosilicate thin films

Yoshitaka Aoki, Akihisa Harada, Aiko Nakao, Toyoki Kunitake, Hiroki Habazaki

2012-01-19 Paper

DOI: 10.1039/C2CP23821G

Inside front cover

Front/Back Matter

DOI: 10.1039/C2CP90013K

Theoretical studies of Pt–Ti nanoparticles for potential use as PEMFC electrocatalysts

Paul C. Jennings, Bruno G. Pollet, Roy L. Johnston

2012-01-06 Paper

DOI: 10.1039/C2CP23430K

You might also like

Compound Q&A

How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?

2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...

615-45-22-Methylbenzene-1,4-...
Compound Q&A

Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...

132747-20-7(1S,4S)-2,5-Diazabic...
Compound Q&A

What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?

(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...

871826-15-2(6-Chloropyridazin-3...
Compound Q&A

What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?

2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...

77772-72-62-Fluoro-3-methylphe...
Compound Q&A

What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...

177476-75-43-Methoxy-4-nitroben...
Compound Q&A

What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?

When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...

211949-57-4[1,3]Oxazolo[4,5-b]p...
Compound Q&A

What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?

4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...

90347-86-74-Ethynylbenzamide
Compound Q&A

What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?

3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...

186822-57-13-(2-Ethylphenyl)-2-...
Compound Q&A

What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?

(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...

500912-19-6(2-Fluoro-6-methoxyp...
Compound Q&A

What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?

Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...

102196-18-92-[4-(Hydroxymethyl)...

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.