New class of Non-Kekulé radical polymethines: Theoretical study

Autor:	Nedko Drebov, Alia Tadjer, Aleksandar Staykov, Nikolai Tyutyulkov
Rok vydání:	2007
Předmět:	Fragment (logic) Atomic electron transition Chemistry Radical Molecular orbital Physical and Theoretical Chemistry Atomic physics Condensed Matter Physics Ground state Quantum Molecular physics Atomic and Molecular Physics and Optics Excitation
Zdroj:	International Journal of Quantum Chemistry. 107:1396-1404
ISSN:	1097-461X 0020-7608
Popis:	A new class of open-shell polymethine monoradicals, possessing nonbonding molecular orbitals (NBMO) and very low excitation energies, was investigated theoretically. The radicals are derivatives of the stable 2-azaphenalenyl radical. Since in the ground state the NBMO is strictly localized within a molecular fragment, the electron transitions are connected with a substantial charge-transfer. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4a17b78afe37747748550c2ab817a2a7 https://doi.org/10.1002/qua.21270 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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