Reactions of Laser Ablated Be Atoms with $H_{2}O$: Infrared Spectra of HOBeOH and $H_{2}O$-BeO in Solid Argon.

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Ohio State University

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Products formed by reacting laser ablated Be atoms with $H_{2}O$ included beryllium oxides seen in earlier Be + $O_{2}$ $experiments_{4}$ as well as novel molecules mentioned above. Similar products arise from the formation of BeO in both systems. Once formed BeO may either react with $H_{2}O$ to form HOBeOH or form the $H_{2}O$-BeO complex. Products were identified by several modes in excellent agreement with DFT calculations and provide interesting comparisons to beryllium oxides such as OBeO and Ar-BeO. HOBeOH is calculated to have an HOOH dihedral angle of $86^{\circ}$ comparable to $H_{2}O_{2}$. The molecules also has a linear OBeO subunit whose antisymmetric stretch is observed about $81 cm^{-1}$ to the blue of OBeO. Spectra for both species will be presented along with a brief comparison to the oxygen system.


$^{a}$ Currently a National Reasearch Council-Naval Research Laboratory Associate. Naval Research Laboratory. Code 6110 4555 Overlook Avenue SW Washington DC 20375-5342. $^{b}$Thompson, C. A. Andrews, I.. J. Chem. Phys. 100, 8689 (1994). $^{c}$Thompson, C. A.; Andrews, L. J. Am. Chem. Soc. 116, 423 (1994).
Author Institution: Dept. Of Chemistry, University of Virginia