STRUCTURAL STUDIES OF PYRROLE-BENZENE COMPLEXES BY CHIRPED-PULSE ROTATIONAL SPECTROSCOPY

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Non-covalent intermolecular interactions are important in structural biology. The N-H $\cdots$ $\pi$ hydrogen bond between amino acid side chains is an important structural determinant and highly affects the secondary structure of proteins. The pyrrole-benzene complex can be viewed as a model system for studying these fundamental interactions. Previous IR and UV spectroscopic studies of the pyrrole-benzene complex by Dauster \textit{et al.} nderline{\textbf{10}}, 2827 (2008)} and Pfaffen \textit{et al.} nderline{\textbf{13}}, 14110 (2011)} support a T-shaped structure with an N-H $\cdots$ $\pi$ hydrogen bond to the benzene ring. In order to obtain accurate structural information we have investigated the broadband rotational spectrum of the supersonic-jet cooled complexes of pyrrole with benzene and benzene-\textit{d}$_{1}$ in the 2-18 GHz frequency range. In addition to the hetero dimer we have also observed the two cyclic mixed trimers (pyrrole)$_{2}$-benzene and pyrrole-(benzene)$_{2}$.

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Author Institution: Department of Chemistry, University of Virginia, McCormick Rd., Charlottesville, VA 22904; Departement fur Chemie und Biochemie, Universitat Bern, Freiestrasse 3, 3012 Bern, Switzerland

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