# THE MICROWAVE SPECTRUM AND STRUCTURE OF A HYDROGEN BONDED PYRROLE-WATER COMPLEX

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 Title: THE MICROWAVE SPECTRUM AND STRUCTURE OF A HYDROGEN BONDED PYRROLE-WATER COMPLEX Creators: Tubergen, Michael J.; Andrews, Anne M.; Kuczkowski, R. L. Issue Date: 1993 Publisher: Ohio State University Abstract: Twelve a-type rotational transitions of a pyrrole-water van der Waals complex were observed using a Fourier-transform microwave spectrometer; these transitions were split into doublets by an internal motion of the complex. Microwave spectra were recorded for the $^{15}N$ isotopomer and the triply deuterated complex as well as the normal isotopic species. The spectra of these isotopomers were found to be consistent with a structure in which the pyrrole acts as a hydrogen bond donor. Quadrupole hyperfine structure of the normal isotopic species was assigned and discussed in terms of the electronic environment of the $^{14}N$ nucleus. Stark effect splittings of the $^{15}N$ substituted complex were measured and fit to obtain $\mu_{a} =4.35 (6)$ Debye. Likely pathways for the internal motion are discussed in terms of spin statistical weights and model potentials calculated using the STO-3G and 6-31G basis sets. Description: Author Institution: Department of Chemistry, University of Michigan; Molecular Physics Division, National Institute of Standards and Technology URI: http://hdl.handle.net/1811/18606 Other Identifiers: 1993-TC-1