Matrix IR spectra and quantum-chemical calculations of the products of small nickel cluster interactions with water molecules
Reactions of Ni n clusters with water molecules were studied by IR spectroscopy in inert matrices and quantum chemistry methods. The geometric configurations, total energies, and vibrational frequencies of all the possible Ni 2 (H 2 O) and Ni 3 (H 2 O) isomers were calculated. For both systems, the...
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| Veröffentlicht in: | Russian Journal of Physical Chemistry A 2010-12, Vol.84 (12), p.2082-2087 |
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| container_end_page | 2087 |
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| container_issue | 12 |
| container_start_page | 2082 |
| container_title | Russian Journal of Physical Chemistry A |
| container_volume | 84 |
| creator | Serebrennikov, L. V. Dalvyatshin, D. I. Golovkin, A. V. |
| description | Reactions of Ni
n
clusters with water molecules were studied by IR spectroscopy in inert matrices and quantum chemistry methods. The geometric configurations, total energies, and vibrational frequencies of all the possible Ni
2
(H
2
O) and Ni
3
(H
2
O) isomers were calculated. For both systems, the main minima and transition states were found. Water was shown to dissociate to hydrogen and hydroxyl in the reactions, and, in all the complexes formed, hydrogen is situated in the bridge position on the Ni-Ni bond. |
| doi_str_mv | 10.1134/S0036024410120137 |
| format | Article |
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n
clusters with water molecules were studied by IR spectroscopy in inert matrices and quantum chemistry methods. The geometric configurations, total energies, and vibrational frequencies of all the possible Ni
2
(H
2
O) and Ni
3
(H
2
O) isomers were calculated. For both systems, the main minima and transition states were found. Water was shown to dissociate to hydrogen and hydroxyl in the reactions, and, in all the complexes formed, hydrogen is situated in the bridge position on the Ni-Ni bond.</description><identifier>ISSN: 0036-0244</identifier><identifier>EISSN: 1531-863X</identifier><identifier>DOI: 10.1134/S0036024410120137</identifier><language>eng</language><publisher>Moscow: Nauka/Interperiodica</publisher><subject>Chemistry ; Chemistry and Materials Science ; Physical Chemistry ; Structure of Matter and Quantum Chemistry</subject><ispartof>Russian Journal of Physical Chemistry A, 2010-12, Vol.84 (12), p.2082-2087</ispartof><rights>Pleiades Publishing, Ltd. 2010</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c336t-5ce22039070d5f5ff5e2532e14e26f5f618d17a4380748ee57f4f0b3874c6c173</citedby><cites>FETCH-LOGICAL-c336t-5ce22039070d5f5ff5e2532e14e26f5f618d17a4380748ee57f4f0b3874c6c173</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0036024410120137$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0036024410120137$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Serebrennikov, L. V.</creatorcontrib><creatorcontrib>Dalvyatshin, D. I.</creatorcontrib><creatorcontrib>Golovkin, A. V.</creatorcontrib><title>Matrix IR spectra and quantum-chemical calculations of the products of small nickel cluster interactions with water molecules</title><title>Russian Journal of Physical Chemistry A</title><addtitle>Russ. J. Phys. Chem</addtitle><description>Reactions of Ni
n
clusters with water molecules were studied by IR spectroscopy in inert matrices and quantum chemistry methods. The geometric configurations, total energies, and vibrational frequencies of all the possible Ni
2
(H
2
O) and Ni
3
(H
2
O) isomers were calculated. For both systems, the main minima and transition states were found. Water was shown to dissociate to hydrogen and hydroxyl in the reactions, and, in all the complexes formed, hydrogen is situated in the bridge position on the Ni-Ni bond.</description><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Physical Chemistry</subject><subject>Structure of Matter and Quantum Chemistry</subject><issn>0036-0244</issn><issn>1531-863X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2010</creationdate><recordtype>article</recordtype><recordid>eNp9UEtLAzEQDqJgrf4Ab_kDq3lu1qMUH4WK4AO8LTE7sam72ZpkqT34381ab4KHmeGb78EwCJ1SckYpF-ePhPCSMCEooYxQrvbQhEpOi6rkL_toMtLFyB-ioxhXhIgsFRP0dadTcJ94_oDjGkwKGmvf4I9B-zR0hVlC54xucS4ztDq53kfcW5yWgNehbwaTfnDsdNti78w7ZHE7xAQBO5-7NjvTxqUl3uhx3_Ut5DSIx-jA6jbCye-coufrq6fZbbG4v5nPLheF4bxMhTTAGOEXRJFGWmmtBCY5AyqAlRmXtGqo0oJXRIkKQCorLHnllRKmNFTxKaK7XBP6GAPYeh1cp8O2pqQe_1f_-V_2sJ0nZq1_g1Cv-iH4fOY_pm9ufXP6</recordid><startdate>20101201</startdate><enddate>20101201</enddate><creator>Serebrennikov, L. V.</creator><creator>Dalvyatshin, D. I.</creator><creator>Golovkin, A. V.</creator><general>Nauka/Interperiodica</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20101201</creationdate><title>Matrix IR spectra and quantum-chemical calculations of the products of small nickel cluster interactions with water molecules</title><author>Serebrennikov, L. V. ; Dalvyatshin, D. I. ; Golovkin, A. V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c336t-5ce22039070d5f5ff5e2532e14e26f5f618d17a4380748ee57f4f0b3874c6c173</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2010</creationdate><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Physical Chemistry</topic><topic>Structure of Matter and Quantum Chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Serebrennikov, L. V.</creatorcontrib><creatorcontrib>Dalvyatshin, D. I.</creatorcontrib><creatorcontrib>Golovkin, A. V.</creatorcontrib><collection>CrossRef</collection><jtitle>Russian Journal of Physical Chemistry A</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Serebrennikov, L. V.</au><au>Dalvyatshin, D. I.</au><au>Golovkin, A. V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Matrix IR spectra and quantum-chemical calculations of the products of small nickel cluster interactions with water molecules</atitle><jtitle>Russian Journal of Physical Chemistry A</jtitle><stitle>Russ. J. Phys. Chem</stitle><date>2010-12-01</date><risdate>2010</risdate><volume>84</volume><issue>12</issue><spage>2082</spage><epage>2087</epage><pages>2082-2087</pages><issn>0036-0244</issn><eissn>1531-863X</eissn><abstract>Reactions of Ni
n
clusters with water molecules were studied by IR spectroscopy in inert matrices and quantum chemistry methods. The geometric configurations, total energies, and vibrational frequencies of all the possible Ni
2
(H
2
O) and Ni
3
(H
2
O) isomers were calculated. For both systems, the main minima and transition states were found. Water was shown to dissociate to hydrogen and hydroxyl in the reactions, and, in all the complexes formed, hydrogen is situated in the bridge position on the Ni-Ni bond.</abstract><cop>Moscow</cop><pub>Nauka/Interperiodica</pub><doi>10.1134/S0036024410120137</doi><tpages>6</tpages></addata></record> |
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| ispartof | Russian Journal of Physical Chemistry A, 2010-12, Vol.84 (12), p.2082-2087 |
| issn | 0036-0244 1531-863X |
| language | eng |
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| subjects | Chemistry Chemistry and Materials Science Physical Chemistry Structure of Matter and Quantum Chemistry |
| title | Matrix IR spectra and quantum-chemical calculations of the products of small nickel cluster interactions with water molecules |
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