Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O) n Complexes
Infrared spectra of OH-(H2O) n (n = 1, 2) isolated in solid Ne were measured by FT-IR spectroscopy. Complexes of OH-(H2O) n were prepared by vacuum ultraviolet (VUV) photolysis of water clusters, and the OH radical stretch and HOH bending vibrations of OH-H2O and OH-(H2O)2 complexes were identified...
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| Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (37), p.9945-9951 |
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| container_issue | 37 |
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| container_title | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory |
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| creator | Tsuji, Kazuhide Shibuya, Kazuhiko |
| description | Infrared spectra of OH-(H2O) n (n = 1, 2) isolated in solid Ne were measured by FT-IR spectroscopy. Complexes of OH-(H2O) n were prepared by vacuum ultraviolet (VUV) photolysis of water clusters, and the OH radical stretch and HOH bending vibrations of OH-H2O and OH-(H2O)2 complexes were identified with the aid of quantum chemical calculations. Observation of the recombination reaction OH-H2O + H → (H2O)2 under dark conditions provides undisputed evidence for our spectroscopic assignment. Quantum chemical calculations predict the cyclic structure to be the most stable for OH-(H2O)2 and OH-(H2O)3. The strength of the hydrogen bond within OH-(H2O) n depends on cluster size. |
| doi_str_mv | 10.1021/jp903648z |
| format | Article |
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Complexes of OH-(H2O) n were prepared by vacuum ultraviolet (VUV) photolysis of water clusters, and the OH radical stretch and HOH bending vibrations of OH-H2O and OH-(H2O)2 complexes were identified with the aid of quantum chemical calculations. Observation of the recombination reaction OH-H2O + H → (H2O)2 under dark conditions provides undisputed evidence for our spectroscopic assignment. Quantum chemical calculations predict the cyclic structure to be the most stable for OH-(H2O)2 and OH-(H2O)3. 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The strength of the hydrogen bond within OH-(H2O) n depends on cluster size.</description><subject>A: Dynamics, Clusters, Excited States</subject><subject>Hydrogen Bonding</subject><subject>Hydroxyl Radical - chemistry</subject><subject>Models, Chemical</subject><subject>Quantum Theory</subject><subject>Spectroscopy, Fourier Transform Infrared</subject><subject>Vibration</subject><subject>Water - chemistry</subject><issn>1089-5639</issn><issn>1520-5215</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2009</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpt0E9LwzAYBvAgitPpwS8guYjuUM3frj1KUTcYFFHPJUnf4Ebb1KQF56c3sqEXT8nhx8P7PAhdUHJLCaN3mz4nPBXZ1wE6oZKRRDIqD-OfZHkiU55P0GkIG0II5UwcownN0yynkp6gctlZrzzU-KUHM3gXjOu3WHU1fh5VN4wtLt6hXRvV4EI1ZmzUsHZdwM7icpHcLFg5wx0uXNs38AnhDB1Z1QQ4379T9Pb48FosklX5tCzuV4niGRkSboBoW1tJgQuhaSaIZhxSmyotc8jFPLVaSk2ZrpkUTII08fxowcwpU3yKrne5vXcfI4ShatfBQNOoDtwYqjkXRLDYNsrZTppYLniwVe_XrfLbipLqZ77qd75oL_epo26h_pP7vSK42gFlQrVxo-9iyX-CvgGA-XU5</recordid><startdate>20090917</startdate><enddate>20090917</enddate><creator>Tsuji, Kazuhide</creator><creator>Shibuya, Kazuhiko</creator><general>American Chemical Society</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20090917</creationdate><title>Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O) n Complexes</title><author>Tsuji, Kazuhide ; Shibuya, Kazuhiko</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a380t-3ce0bfdf51e344b1840b23e6f6ab59e9476fb55b12bd25425e5c000344ec712a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2009</creationdate><topic>A: Dynamics, Clusters, Excited States</topic><topic>Hydrogen Bonding</topic><topic>Hydroxyl Radical - chemistry</topic><topic>Models, Chemical</topic><topic>Quantum Theory</topic><topic>Spectroscopy, Fourier Transform Infrared</topic><topic>Vibration</topic><topic>Water - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Tsuji, Kazuhide</creatorcontrib><creatorcontrib>Shibuya, Kazuhiko</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>The journal of physical chemistry. 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| subjects | A: Dynamics, Clusters, Excited States Hydrogen Bonding Hydroxyl Radical - chemistry Models, Chemical Quantum Theory Spectroscopy, Fourier Transform Infrared Vibration Water - chemistry |
| title | Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O) n Complexes |
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