Resonant ion-dip infrared spectroscopy of benzene–(water)9: Expanding the cube
作者： Christopher J. Gruenloh , Joel R. Carney , Fredrick C. Hagemeister , Timothy S. Zwier , John T. Wood
DOI: 10.1063/1.482044
关键词: Spectroscopy 、 Molecule 、 Infrared spectroscopy 、 Analytical chemistry 、 Chemistry 、 Hydrogen bond 、 Ionization 、 Density functional theory 、 Ion 、 Infrared
摘要: The techniques of resonant two-photon ionization (R2PI), UV-UV hole-burning, and ion-dip infrared (RIDIR) spectroscopy have been employed along with density functional theory (DFT) calculations to characterize the hydrogen-bonding topologies three isomers benzene–(water)9. Isomers I II, R2PI transitions shifted, respectively, by +77 +63 cm−1 from benzene monomer, similar intensities in spectrum. signal third isomer (isomer III, shifted +60 cm−1) is present at about one-fourth intensity other two. experimental RIDIR spectrum bears a strong resemblance benzene–(water)8 D2d-symmetry cubic structure identified earlier work, but possessing an extra single-donor transition associated ninth water molecule. Using S4 D2d symmetry forms octamer as base structures which molecule can be added, total nine “expanded-cube” are for W9 a...
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