On the photonics of aromatic azide molecules

Autor:	Serzhan Sakipov, V. G. Plotnikov, V. A. Smirnov, Ksenia Komarova, M. V. Alfimov
Rok vydání:	2014
Předmět:	Chemical structure Ab initio Electron Photochemistry chemistry.chemical_compound chemistry Computational chemistry Excited state Physics::Atomic and Molecular Clusters Molecule Singlet state Azide Physics::Chemical Physics Physical and Theoretical Chemistry Luminescence
Zdroj:	High Energy Chemistry. 48:359-362
ISSN:	1608-3148 0018-1439
Popis:	Energies of electronically excited states of a number of aromatic azides have been calculated using ab initio quantum-chemical methods. It has been shown that the relative arrangement of the singlet and triplet states of the A′ and A″ types changes with an increase in the number of π electrons in the system. As in the case of other classes of heteroaromatic molecules, five relative locations of these states are possible. On this basis, the dependence of the luminescent and photochemical properties of molecules of aromatic azides on their chemical structure has been rationalized.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f55d69ce187892e7f93284b423d15b99 https://doi.org/10.1134/s0018143914060046 Zobrazit plný text záznamu Plný text ve formátu PDF