A. Dubis, S. J. Grabowski
May 2, 2001
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Influential Citations
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Journal
Journal of Molecular Structure
Abstract
Abstract The structure of methyl pyrrole-2-carboxylate has been studied on the basis of both IR spectra and ab initio RHF calculations (6-31G ∗∗ and 6-311++G ∗∗ basis sets). The calculations on two conformations of molecular structure have been carried out. IR spectra show that the concentration of one of the conformers in CCl 4 solution is higher; the theoretical studies show that such conformer is more stable than the second one.