EPR, ENDOR and TRIPLE resonance of amino-substituted 9,10-anthraquinone radicals and the rotation of the amino groups in the solution phase

Autor:	Jussi Eloranta, Hilkka Heikkilä, Reijo Mäkelä, Mikko Vuolle, Virpi Vatanen, Antti Grönroos
Jazyk:	angličtina
Rok vydání:	1996
Předmět:	Radical Resonance General Chemistry ENDOR Rotation Anthraquinone Solution phase law.invention chemistry.chemical_compound Aminoanthraquinones chemistry Rotation barrier TRIPLE Computational chemistry law Physical chemistry General Materials Science EPR Electron paramagnetic resonance
Zdroj:	Eloranta, J, Vatanen, V, Grönroos, A, Vuolle, M, Mäkelä, R & Heikkilä, H 1996, ' EPR, ENDOR and TRIPLE resonance of amino-substituted 9,10-anthraquinone radicals and the rotation of the amino groups in the solution phase ', Magnetic Resonance in Chemistry, vol. 34, no. 11, pp. 903-907 . https://doi.org/10.1002/(SICI)1097-458X(199611)34:11<903::AID-OMR986>3.0.CO;2-8
ISSN:	1097-458X 0749-1581
DOI:	10.1002/(SICI)1097-458X(199611)34:11<903::AID-OMR986>3.0.CO;2-8
Popis:	EPR, ENDOR and TRIPLE resonance spectra were recorded for 1-amino-9,10-anthraquinone (1-aminoAQ), 2-aminoAQ, 1,2-diaminoAQ, 1.4-diaminoAQ, 1,5-diaminoAQ and 2,6-diaminoAQ anion radicals in the solution phase. The rotation of the amino groups is discussed with reference to the experimental data. Rotation barrier calculations were carried out using B3PW91/3-21G* density functional method. The amino groups at positions 1, 4, 5, 8 were found not to be in rotational movement up to the EPR time-scale.
Databáze:	OpenAIRE
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