Display options
Cite
Gallardo I, Guirado G, Marquet J, et al. Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2'-4,4'-tetranitrobiphenyl. Chemphyschem. 2001;2(12):754-60doi: 10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U.
Gallardo, I., Guirado, G., Marquet, J., & Moreno, M. (2001). Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2'-4,4'-tetranitrobiphenyl. Chemphyschem : a European journal of chemical physics and physical chemistry, 2(12), 754-60. https://doi.org/10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U
Gallardo, I, et al. "Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2'-4,4'-tetranitrobiphenyl." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 2,12 (2001): 754-60. doi: https://doi.org/10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U
Gallardo I, Guirado G, Marquet J, Moreno M. Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2'-4,4'-tetranitrobiphenyl. Chemphyschem. 2001 Dec 17;2(12):754-60. doi: 10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U. PMID: 23686928.
Copy Download .nbib Format: NLM
Share it on

Chemphyschem. 2001 Dec 17;2(12):754-60. doi: 10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U.

Evidence for a transition between singlet and triplet states in the electrochemical reduction of 2,2'-4,4'-tetranitrobiphenyl.

Chemphyschem : a European journal of chemical physics and physical chemistry

I Gallardo, G Guirado, J Marquet, M Moreno

Affiliations

  1. Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain. [email protected]

PMID: 23686928 DOI: 10.1002/1439-7641(20011217)2:12<754::AID-CPHC754>3.0.CO;2-U

Abstract

Two different dianionic species, close in energy, result from the electroreduction of 2,2'-4,4'-tetranitrobiphenyl, 1. The first-formed species has biradical characteristics, such as a triplet EPR spectrum, but it slowly evolves to another EPR-silent species, essentially described as a quinoid form. DFT calculations also support the existence of two dianionic states of the dianion, singlet and triplet, differing by less than 10 kcal mol(-1) (in the gas phase); the quinoid singlet state is more stable.

© 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Publication Types