Hydrogen-Bound Complexes of Tropolone: Gateways for the Interrogation of Multiple Proton-Transfer Events

Details Hydrogen-Bound Complexes of Tropolone: Gateways for the Interrogation of Multiple Proton-Transfer Events Hydrogen-Bound Complexes of Tropolone: Gateways for the Interrogation of Multiple Proton-Transfer Events

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confetg02n&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Electronic

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Tropolone (TrOH) serves as a model system for the study of coherent proton-transfer processes, where a potential barrier of finite height hinders the symmetric exchange of a lone hydron between hydroxylic (proton-donating) and ketonic (proton-accepting) oxygen centers. This talk will discuss ongoing efforts to build upon the known structural and dynamical properties of tropolone so as to explore related multiple proton-transfer events that are mediated by successive formation and breaking of several hydrogen bonds. Of particular interest are weakly-bound complexes created in situ under ``cold'' molecular-beam conditions by docking amphoteric
ligands (e.g., HF and HCOOH) into the reaction cleft of the TrOH substrate. Such species have the tantalizing possibility of undergoing double proton transfer, with resulting tunneling-induced bifurcation of rovibronic features reflecting the intrinsic vibrational and/or electronic specificity of the attendant unimolecular transformation. Spectroscopic studies of several hydrogen-bound TrOH complexes through use of the richly structured tilde{A}1B2-tilde{X}1A1 (π *← π ) absorption system will be presented, with complementary quantum-chemical calculations serving to guide the assignment and interpretation of observed spectral patterns.
L. A. Burns, D. Murdock, and P. H. Vaccaro, Mol. Phys., 108, 1171 (2010).

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