X-ray, IR, NMR, UV-visible spectra and DFT analysis of 5-aryloxy-(1H)-tetrazoles, structure, conformation and tautomerism
The predominant tautomeric forms of N1–H, N2–H of 5-(2,6-dimethyl- and 5-(2,6-diisopropylphenoxy)-(1H)-tetrazoles were analyzed at B3LYP method using 6-311G(d,p) basis set in the gas phase. The N1–H form of tetrazoles was found to be more stable than N2–H form in both solid and gas phases. Crystal s...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Published: |
Growing Science
2014
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| Online Access: | http://psasir.upm.edu.my/id/eprint/36037/ http://growingscience.com/ccl/Vol3/cclvol3issue2.html |
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