Synthesis, spectroscopic analysis and NLO properties of 4-(4-N-Hexyloxyphenyl)-2-Methyl-3-Butyn-2-Ol (4HP2M3B) by quantum mechanical calculations
| Autor: | Arockiasamy Ajay Praveenkumar, R. Ganapathi Raman, K.V. Anand, A. Sandy Subala |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
010302 applied physics
Materials science Operator (physics) Sonogashira coupling Ether 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences 2-methyl-3-butyn-2-ol chemistry.chemical_compound chemistry Phenylacetylene Reagent 0103 physical sciences Physical chemistry Single point 0210 nano-technology Quantum |
| Zdroj: | Materials Today: Proceedings. 45:2902-2907 |
| ISSN: | 2214-7853 |
| DOI: | 10.1016/j.matpr.2020.11.900 |
| Popis: | 4-(4-n-hexyloxyphenyl) − 2-methyl-3-butyn-2-ol compound incorporated by O-Alkylation of 4-iodophenol with 1-bromohexane under essential condition furnish the ether followed by joining with 2-methyl-3-butyn-2-ol in a state of Sonogashira response conditions to give the secured phenylacetylene. Single point vitality was determined for advanced the compound which helps the exact way for the further computational investigations. Basic, vibrational spectroscopic examinations are acquired utilizing the computational techniques. This halfway compound utilized as the interfacing operator for research facility reagent. Optical parameters are determined by standard premise strategy and correspond with urea. |
| Databáze: | OpenAIRE |
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