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Title:High Resolution Infrared Spectroscopy Of Oc-hoh Trapped In Solid Parahydrogen: Coherent Tunneling In A Quantum Solid
Author(s):Anderson, David T.
Contributor(s):Olenyik, Kelly M.; Strom, Aaron I.; Balabanoff, Morgan E.
Subject(s):Mini-symposium: Large Amplitude Motions
Abstract:One of the main objectives in the study of weakly bound complexes is to provide a quantitative description of the (ro)vibrational dynamics which can be dominated by nuclear quantum effects. For example, water and carbon monoxide form a weakly bound complex where the H$_{2}$O moiety can undergo a large-amplitude tunneling motion within the complex that exchanges the free and bound hydrogen atoms in the intermolecular bond. The exchange symmetry of identical particles entangles the spin and spatial quantum states of H$_{2}$O such that in the ground vibrational state, the symmetric tunneling state A correlates with para-H$_{2}$O (I=0), while the antisymmetric tunneling state B correlates with ortho-H$_{2}$O (I=1). The gas phase water-CO complex has been extensively studied by microwave\footnote{D. Yaron, K. I. Peterson, D. Zolandz, W. Klemperer, F. J. Lovas, R. D. Suenram, \textit{J. Chem. Phys. }\textbf{92}, 7095 (1990).}\footnote{R. E. Bumgarner, S. Suzuki, P. A. Stockman, P. G. Green, G. A. Blake, \textit{Chem. Phys. Lett. }\textbf{176}, 123 (1991).} and IR spectroscopy\footnote{M. D. Brookes, A. R. W. McKellar, \textit{J. Chem. Phys. }\textbf{109}, 5823 (1998).}\footnote{L. Oudejans, R. E. Miller, \textit{Chem. Phys. Lett. }\textbf{306}, 214 (1999).}\footnote{A. J. Barclay, A. van der Avoid, A. R. W. McKellar, N. Moazzen-Ahmadi, \textit{Phys. Chem. Chem. Phys. }\textbf{21}, 14911 (2019).} and when compared with full-dimensional quantum bound state calculations on a nine-dimensional potential energy surface, the agreement is very good.\footnote{P. M. Felker, Z. Bacic, \textit{J. Chem. Phys. }\textbf{153}, 074107 (2020).} We have completed analogous IR studies of the tunneling splittings of the water-CO complex when the complex is isolated in a parahydrogen quantum solid. We can estimate the tunneling splittings in the ground and excited (CO stretch, water stretch, and water bend) vibrational states to see how the tunneling motion is perturbed by the presence of the quantum solid. Furthermore, we can examine the nuclear spin conversion kinetics between the two tunneling levels in the ground vibrational state by rapidly changing the temperature of the sample. Nuclear spin conversion has not been reported in the previous gas phase studies and thus these are the first results for this water-CO complex.
Issue Date:2021-06-24
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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