Enhancement of NLO Properties in OBO Fluorophores Derived from Carbazole–Coumarin Chalcones Containing Carboxylic Acid at the N-Alykl Terminal End
| العنوان: | Enhancement of NLO Properties in OBO Fluorophores Derived from Carbazole–Coumarin Chalcones Containing Carboxylic Acid at the N-Alykl Terminal End |
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| المؤلفون: | Isaac H. Joe, Nagaiyan Sekar, Manali Rajeshirke, Mavila C. Sreenath, Subramaniyan Chitrambalam |
| المصدر: | The Journal of Physical Chemistry C. 122:14313-14325 |
| بيانات النشر: | American Chemical Society (ACS), 2018. |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | chemistry.chemical_classification, Carbazole, Carboxylic acid, Solvatochromism, Hyperpolarizability, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Coumarin, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, End-group, General Energy, chemistry, Polarizability, Computational chemistry, Physical and Theoretical Chemistry, 0210 nano-technology, Basis set |
| الوصف: | The nonlinear optical (NLO) properties of carbazole–coumarin-based chalcones and their OBO complexes of D−π–A and D−π–A−π–D types with carbazole as donor substituted with N-alykl chain at the 9 position with carboxylic acid end group are studied in detail. These dyes exhibit good emission solvatochromism. The NLO properties of dyes 5–8 were studied by two methods, namely, solvatochromic and computational method. The linear polarizability (α), hyperpolarizability (β), and second-order hyperpolarizability (γ) of dyes 5–8 were studied by time-dependent density-functional theory computational method using five different range-separated functionals, namely, CAM-B3LYP, HISSbPBE, HSEH1PBE, wB97, and wB97X, with triple ζ basis set 6-311++G(d,p). The correlation between the NLO properties is well established with the geometry of the dyes by understanding the enhancement of hyperpolarizability, second-order hyperpolarizability, and two-photon absorption (TPA) properties of complexed and uncomplexed carbazole–coumar... |
| تدمد: | 1932-7455 1932-7447 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::dbb4e25b2e8f3da9ae8942e88cf68c6c https://doi.org/10.1021/acs.jpcc.8b02937 |
| رقم الأكسشن: | edsair.doi...........dbb4e25b2e8f3da9ae8942e88cf68c6c |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 19327455 19327447 |
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