Kaylee X. Shook, Lindsey M. McDivitt, Caleb D. Shiery, Josiah R. Bailey, Timothy J. McMahon, Robert A. Grimminger, Ryan G. Bird
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Coulombic or electrostatic: Determination of the effects of substitution on the structures of 2-, 3-, and 4-picolylamine using Fourier transform microwave spectroscopy
In this study, the microwave spectra of 2-, 3-, and 4-picolyamine were recorded in a pulsed supersonic jet. With the aid of Natural Bond Orbital analysis, NCIplot, and Multiwfn, the structural effects of substitution were explored and then quantified by comparing semi-experimental geometries. The conformational landscape of each molecule is dominated by Van der Waals interactions between the amino group and the pyridine ring. Spectra of 2H, 13C, and 15N were also collected and analyzed.
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The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.
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