| Matrix isolation infrared spectroscopic and density functional theoretical study of the reactions of scandium and yttrium monoxides with monochloromethane. | |
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MedLine Citation:
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PMID: 20128585 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Reactions of scandium and yttrium monoxide molecules (ScO and YO) with monochloromethane have been studied in solid argon by infrared absorption spectroscopy and density functional theoretical calculations. The metal monoxide molecules were prepared by laser-evaporation of bulk metal oxide targets. The results show that the ground state scandium and yttrium monoxide molecules reacted with CH(3)Cl to form two MO(CH(3)Cl) (M = Sc, Y) complex isomers spontaneously on annealing. Broad-band UV-visible irradiation initiated the addition of the Cl-C bond to the M=O bond to form the CH(3)OMCl molecule and the addition of the C-H bond to the M=O bond to give the CH(2)ClMOH isomer, both of which are more stable than the MO(CH(3)Cl) complex structures. The CH(2)ClMOH molecule was predicted to involve agnostic interaction between the chlorine atom and the metal atom. |
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Authors:
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Yongfei Huang; Yanying Zhao; Xuming Zheng; Mingfei Zhou |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
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Title: The journal of physical chemistry. A Volume: 114 ISSN: 1520-5215 ISO Abbreviation: J Phys Chem A Publication Date: 2010 Feb |
Date Detail:
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Created Date: 2010-02-19 Completed Date: 2010-05-28 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9890903 Medline TA: J Phys Chem A Country: United States |
Other Details:
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Languages: eng Pagination: 2476-82 Citation Subset: IM |
Affiliation:
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Department of Chemistry and State Key Laboratory of ATMMT, Zhejiang Sci-Tech University, Hanzhou, People's Republic of China. |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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Computer Simulation* Methyl Chloride / chemistry* Models, Chemical* Scandium / chemistry* Spectrophotometry, Infrared Ultraviolet Rays Yttrium / chemistry* |
| Chemical | |
Reg. No./Substance:
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12060-08-1/scandium oxide; 1314-36-9/yttria; 74-87-3/Methyl Chloride; 7440-20-2/Scandium; 7440-65-5/Yttrium |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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