Pulse EPR and ENDOR study of 1,2,3-benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals

Literature Information

Publication Date 2011-01-04
DOI 10.1039/C0CP02051F
Impact Factor 3.676
Authors

Andrey V. Pivtsov, Leonid V. Kulik, Alexander Yu. Makarov, Frank Blockhuys


View Original

Abstract

1,2,3-Benzodithiazolyl, 2,1,3-benzothiaselenazolyl and 1,2,3-benzodiselenazolyl radicals were generated by the reduction of the corresponding cations and investigated by pulse EPR and ENDOR in frozen CHCl3 solutions at 30 and 80 K. These methods, in combination with density functional theory calculations, were used to study the magnetic parameters of the radicals, namely the principal values of the nitrogen and proton hyperfine interactions and g-tensors. The spin density distribution was shown to be nearly the same for all investigated radicals and, therefore, replacement of sulfur by selenium leads to a limited perturbation of the radicals’ electronic structure. A high anisotropy of the g-tensors was found for the selenium-containing radicals.

Related Literature

Hysteresis phenomena in perovskite solar cells: the many and varied effects of ionic accumulation

Daniel A. Jacobs, Yiliang Wu, Heping Shen, Chog Barugkin, Fiona J. Beck, Thomas P. White, Klaus Weber, Kylie R. Catchpole

2017-01-03 Paper

DOI: 10.1039/C6CP06989D

Structural influence of proteins upon adsorption to MoS2 nanomaterials: comparison of MoS2 force field parameters

Zonglin Gu, Phil De Luna, Zaixing Yang

2016-12-15 Paper

DOI: 10.1039/C6CP05260F

Sensitized ZnO nanorod assemblies to detect heavy metal contaminated phytomedicines: spectroscopic and simulation studies

Damayanti Bagchi, Tuhin Kumar Maji, Samim Sardar, Chinmoy Bhattacharya, Debjani Karmakar, Samir Kumar Pal

2016-12-20 Paper

DOI: 10.1039/C6CP08016B

Sizing and Eddy currents in magnetic core nanoparticles: an optical extinction approach

Luis J. Mendoza Herrera, Ignacio J. Bruvera

2016-12-19 Paper

DOI: 10.1039/C6CP08260B

In situ X-ray absorption near edge structure studies and charge transfer kinetics of Na6[V10O28] electrodes

Chun-Jern Pan, Ali Haider, Rami Al-Oweini, Ming-Hsien Lin, Ulrich Kortz

2017-01-16 Paper

DOI: 10.1039/C6CP05768C

The strongest CO binding and the highest C–O stretching frequency

Ranajit Saha, Sudip Pan, Gernot Frenking, Pratim K. Chattaraj, Gabriel Merino

2016-12-14 Paper

DOI: 10.1039/C6CP06824C

Front cover

Cover

DOI: 10.1039/C7CP90001E

Small-angle scattering from the Cantor surface fractal on the plane and the Koch snowflake

Vladimir A. Osipov

2016-12-14 Paper

DOI: 10.1039/C6CP07496K

Uniform and perfectly linear current–voltage characteristics of nitrogen-doped armchair graphene nanoribbons for nanowires

Lingling Liu, Xiao-Fei Li, Qing Yan, Qin-Kun Li, Xiang-Hua Zhang, Mingsen Deng, Qi Qiu

2016-11-29 Communication

DOI: 10.1039/C6CP06640B

You might also like

Compound Q&A

Is 2-(2-chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) safe?

2-(2-Chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) is generally consi...

7765-11-92-(2-chloroacetamido...
Compound Q&A

Is 2-(Benzyloxy)-5-bromobenzoic acid (CAS: 62176-31-2) safe?

2-(Benzyloxy)-5-bromobenzoic acid can be handled safely if appropriate precautio...

62176-31-22-(Benzyloxy)-5-brom...
Compound Q&A

What is (4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride (CAS: 1159825-48-5)?

(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride is a chemical compound ...

1159825-48-5(4-Methyl-1,2,5-oxad...
Compound Q&A

What is 2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54-7)?

2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54...

917985-54-72-(5-Hexylthiophen-2...
Compound Q&A

Are there alternatives to 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS: 102771-26-6) in synthesis?

While 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS:...

102771-26-64-(8-Methyl-9H-1,3-d...
Compound Q&A

What is the market or research trend for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine-6-carboxylate (CAS: 851376-80-2)?

The market for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine...

851376-80-2tert-butyl 3-hydroxy...
Compound Q&A

How should waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) be handled?

Waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) should ...

6844-58-23,5-Diamino-1H-pyraz...
Compound Q&A

How is (6-Fluoro-3-pyridinyl)boronic acid (CAS: 351019-18-6) typically synthesized?

(6-Fluoro-3-pyridinyl)boronic acid can be synthesized through the reaction of 6-...

351019-18-6(6-Fluoro-3-pyridiny...
Compound Q&A

What industries use Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9)?

Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9) finds applications in vario...

10065-79-9Dibenzyl carbonimido...
Compound Q&A

What is the market or research trend for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4)?

The market for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4) is g...

74228-83-4(beta,beta,2,3,4,5,6...

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.