Experimental and theoretical Investigation of the IR spectra and thermochemistry of four isomers of 2-N,N- dimethylaminecyclohexyl 1-N’,N’-dimethylcarbamate
A combined experimental and Density functional theory (DFT) B3LYP/6-311+G* study on the IR spectra of four stable isomers of 2-N,N-dimethylaminecyclohexyl 1-N’,N’-dimethylcarbamate was performed. Our theoretical calculations reveal that two new isomers of this compound exist and may be more stable t...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Estadual Paulista
2018-09-01
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| Series: | Eclética Química |
| Online Access: | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/408 |