Synthesis, spectroscopic analysis and NLO properties of 4-(4-N-Hexyloxyphenyl)-2-Methyl-3-Butyn-2-Ol (4HP2M3B) by quantum mechanical calculations

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...

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Bibliographic Details
Main Authors: Ajay Praveenkumar, Arockiasamy, Sandy Subala, A., Anand, K.V., Ganapathi Raman, R.
Format: Conference Proceeding
Language:English
Subjects:
4-(4-n-hexyloxyphenyl)-2-methyl-3-butyn-2-ol
Computational techniques
Optical parameters
Vibrational spectroscopic
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Summary: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.
ISSN:2214-7853
2214-7853
DOI:10.1016/j.matpr.2020.11.900