Photoisomerization-switchable second-order nonlinear optical responses of dithienylethene-containing boron derivatives: a theoretical study

Autor:	Hong-Yan Zhao, Yunqing Luo, Hai-Ling Yu, Bo Hong
Rok vydání:	2015
Předmět:	Photoisomerization Stereochemistry Organic Chemistry Substituent Hyperpolarizability chemistry.chemical_element General Chemistry Conjugated system Photochemistry Catalysis chemistry.chemical_compound Photochromism chemistry Pyridine Density functional theory Boron
Zdroj:	Canadian Journal of Chemistry. 93:297-302
ISSN:	1480-3291 0008-4042
Popis:	The switchable second-order nonlinear optical properties of a series of dithienylethene-containing boron compounds possessing reversible photochromic behavior have been systemically investigated based on density functional theory. The significant differences on the static first hyperpolarizabilities caused by the photoisomerization reaction confirm the switchable nonlinear optical behavior. Results show that the closed-ring 1c–4c possess large static first hyperpolarizabilitieswith respect to their corresponding open-ring 1o–4o, which is due to the better π-conjugation and a more obvious degree of charge transfer. Specifically, the static first hyperpolarizability values increase in the range of 2.4–5.2 times with the strengthening electron-withdrawing ability of the substituent R (R = H, CF3, NO2) on the pyridine and elongating the conjugated chains. It indicates that introducing boron-based functional groups to the dithienylethene monomer and modifying the pyridine ring can effectively improve the switching nonlinear optical responses.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4d32c5f59fe2f5b016b41c3d9e7246e5 https://doi.org/10.1139/cjc-2014-0391 Zobrazit plný text záznamu Plný text ve formátu PDF