Carbonyl copper(i) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methaneligands: a DFT study

Literature Information

Publication Date 2008-11-18
DOI 10.1039/B815095H
Impact Factor 3.676
Authors

Luciano Pandolfo, Andrea Vittadini


View Original

Abstract

Theoretical evidence supporting the use of hydrotris(1,2,4-triazolyl)borate (ttz) ligands as a proper alternative to the hydrotris(pyrazolyl)borate (tp) ones is provided by density functional calculations.

Related Literature

Fast and accurate MAS–DNP simulations of large spin ensembles

Shimon Vega

2017-01-05 Paper

DOI: 10.1039/C6CP07881H

Electric field tunable half-metallic characteristic at Fe3O4/BaTiO3 interfaces‡

Xueyao Hou, Xiaocha Wang, Guifeng Chen, Wenbo Mi

2017-01-06 Paper

DOI: 10.1039/C6CP07858C

Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides

Christel Gervais, Christian Brouder, Nicolas Trcera, Amélie Bordage, Cristina Coelho-Diogo, Pierre Florian, Aydar Rakhmatullin, Lorenzo Paulatto, Michele Lazzeri, Delphine Cabaret

2017-01-30 Paper

DOI: 10.1039/C6CP08393E

Front cover

Cover

DOI: 10.1039/C7CP90034A

Kinetics, mechanisms and ionic liquids in the uptake of n-butylamine onto low molecular weight dicarboxylic acids

Michelle C. Fairhurst, Michael J. Ezell, Carla Kidd, Pascale S. J. Lakey, Manabu Shiraiwa, Barbara J. Finlayson-Pitts

2017-01-24 Paper

DOI: 10.1039/C6CP08663B

A theoretical study of the potential energy surfaces for the double proton transfer reaction of model DNA base pairs

Chaozheng Li, Yonggang Yang, Donglin Li, Yufang Liu

2017-01-17 Paper

DOI: 10.1039/C6CP07716A

Prediction of a novel 10-fold gold coordinated structure in AuIn2 above 10 GPa

P. Modak, Ashok K. Verma

2017-01-06 Paper

DOI: 10.1039/C6CP07805B

Effects of the Hofmeister series of sodium salts on the solvent properties of water

L. A. Ferreira, V. N. Uversky, B. Y. Zaslavsky

2017-01-09 Paper

DOI: 10.1039/C6CP08214A

Conceptual density functional theory for electron transfer and transport in mesoscopic systems

Paulo R. Bueno, David A. Miranda

2017-02-02 Paper

DOI: 10.1039/C6CP02504H

Mechanistic insights into CO2 reduction on Cu/Mo-loaded two-dimensional g-C3N4(001)

Penghui Li, Fang Wang, Shiqian Wei, Xinyu Li

2017-01-09 Paper

DOI: 10.1039/C6CP08409E

You might also like

Compound Q&A

What regulatory guidelines apply to 4-Amino-3-bromophenol (CAS: 74440-80-5)?

4-Amino-3-bromophenol (CAS: 74440-80-5) falls under the classification of a haza...

74440-80-54-Amino-3-bromopheno...
Compound Q&A

How should (17beta)-3-Oxoestr-4-en-17-yl acetate (CAS: 1425-10-1) be stored?

(17beta)-3-Oxoestr-4-en-17-yl acetate should be stored in a cool, dry place away...

1425-10-1(17beta)-3-Oxoestr-4...
Compound Q&A

What are the physical and chemical properties of 2-[(2,2-Diethoxyethyl)disulfanyl]-1,1-diethoxyethane (CAS: 76505-71-0)?

2-[(2,2-Diethoxyethyl)disulfanyl]-1,1-diethoxyethane (CAS: 76505-71-0) is a colo...

76505-71-02-[(2,2-Diethoxyethy...
Compound Q&A

What is the market or research trend for 1-(β-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine?

The market and research for 1-(β-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-ami...

6736-58-91-(beta-D-Ribofurano...
Compound Q&A

How should waste containing Conjugated Estrogen (CAS: 12126-59-9) be handled?

Waste containing Conjugated Estrogen (CAS: 12126-59-9) should be collected and d...

12126-59-9Conjugated Estrogen
Compound Q&A

What is the market or research trend for Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate?

The market for Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate (CAS...

88738-78-7Bis(2,2,2-trifluoroe...
Compound Q&A

Are there alternatives to 3,4'-Di-O-methylellagic acid (CAS: 57499-59-9) in synthesis?

There are several alternatives to 3,4'-Di-O-methylellagic acid (CAS: 57499-59-9)...

57499-59-93,4'-Di-O-methylella...
Compound Q&A

What regulatory guidelines apply to 2-Chloro-N,N-dimethylpyridin-4-amine (CAS: 59047-70-0)?

2-Chloro-N,N-dimethylpyridin-4-amine (CAS: 59047-70-0) is regulated under the Gl...

59047-70-02-Chloro-N,N-dimethy...
Compound Q&A

What is cerium(3+);oxygen(2-);vanadium(5+) (CAS: 13597-19-8)?

Cerium(3+);oxygen(2-);vanadium(5+) (CAS: 13597-19-8) is a complex inorganic comp...

13597-19-8cerium(3+);oxygen(2-...
Compound Q&A

Is 7-Chloro-1-iodoisoquinoline (CAS: 1203579-27-4) safe?

7-Chloro-1-iodoisoquinoline (CAS: 1203579-27-4) is generally considered safe whe...

1203579-27-47-Chloro-1-iodoisoqu...

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 Compounds

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.