DFT and Experimental Study of Synthesis a Quinoxaline Derivative Using Photocatalysis
Abstract
The photocatalysis synthesis of 2-methylquinoxaline 1,4-dioxide (2MQOX) was investigated by the cycloaddition reaction of Benzofurazan oxide with acetone at 254 nm with yield 65% and the quantum yield was calculated (0.03).The structure of the resultant was elucidated by spectroscopic analysis (IR, UV, and 1H,13C NMR). A mechanism for the reaction was proposed using the density functional theory (DFT / B3LYP (6-311 + G (2d)). The molar ratio of reaction was 1: 1.
Keywords: quinoxaline, density functional theory, mechanism, spectroscopic analysis.
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ISSN (Paper)2224-3224 ISSN (Online)2225-0956
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