Protonation-induced modulation of one- and two-photon absorption properties for quadripolar dyes

Autor:	Jie Sun, Hong-Juan Ding, Chuan-Kui Wang, Yu-Jin Zhang
Rok vydání:	2014
Předmět:	Modulation Chemistry Intramolecular force Analytical chemistry General Physics and Astronomy Protonation Density functional theory Physical and Theoretical Chemistry Absorption (electromagnetic radiation) Photochemistry Two-photon absorption Electronic properties
Zdroj:	Chemical Physics Letters. 591:142-148
ISSN:	0009-2614
Popis:	The time-dependent hybrid density functional theory (TD-DFT) in combination with analytical response theory is used to explore the one-photon absorption (OPA) and emission as well as two-photon absorption (TPA) properties of quadripolar compounds with hydroxyl, amino or pyridyl end groups upon (de)protonation process. Both their one-photon absorption and emission as well as two-photon absorption properties show obvious changes upon passing from their neutral to their doubly (de)protonated state. The intramolecular charge-transfer (ICT) analysis demonstrates the variation of the electronic properties of the terminal groups by the (de)protonation process. The computational results are in reasonable agreement with the experimental ones.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9f02109c8744a8f64518ba4a6a3f18fa https://doi.org/10.1016/j.cplett.2013.11.015 Zobrazit plný text záznamu Full Text from ScienceDirect