Evidence for the Specific Species of Benzyltriethoxysilane Derivatives with a High-Coordination Silicon Atom
Evidence for the specific species of benzyltriethoxysilane derivatives with a high-coordination silicon atom is presented. Nanosecond laser flash photolyses of benzyltriethoxysilane and triethoxysilyldiphenylmethane have been studied in polar and nonpolar solvents. For the transient absorption spect...
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| Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (23), p.4817-4827 |
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| container_title | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory |
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| creator | Hiratsuka, Hiroshi Horiuchi, Hiroaki Kudo, Takako Minegish, Takeshi Yonemoto, Atsushi Kusakari, Nobuharu Okutsu, Tetsuo Kamiyama, Naoki Murakami, Shinji |
| description | Evidence for the specific species of benzyltriethoxysilane derivatives with a high-coordination silicon atom is presented. Nanosecond laser flash photolyses of benzyltriethoxysilane and triethoxysilyldiphenylmethane have been studied in polar and nonpolar solvents. For the transient absorption spectra of benzyltriethoxysilane and triethoxysilyldiphenylmethane in methanol, a characteristic band attributed to the benzyl radical or diphenylmethyl radical was observed at around 317 and 330 nm, with a second-order decay rate constant of 5.7 × 109 and 4.2 × 109 M–1 s–1, respectively. While in cyclohexane, an absorption band attributable to the specific species with a high-coordination silicon atom was observed at around 330 nm with a first-order decay rate constant of 5.7 × 104 and 1.2 × 104 s–1 for benzyltriethoxysilane and triethoxysilyldiphenylmethane, respectively. A two-step laser-induced fluorescence study of triethoxysilyldiphenylmethane supports the assignment that the transient absorption bands observed at around 330 nm in methanol and in cyclohexane are ascribed to the diphenylmethyl radical and the specific species of triethoxysilyldiphenylmethane with a high-coordination silicon atom, respectively. The candidates for this specific species with a high-coordination silicon atom have been calculated by means of the TD-DFT method and SAC-CI method, and their molecular structures were discussed. |
| doi_str_mv | 10.1021/jp308642z |
| format | Article |
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Nanosecond laser flash photolyses of benzyltriethoxysilane and triethoxysilyldiphenylmethane have been studied in polar and nonpolar solvents. For the transient absorption spectra of benzyltriethoxysilane and triethoxysilyldiphenylmethane in methanol, a characteristic band attributed to the benzyl radical or diphenylmethyl radical was observed at around 317 and 330 nm, with a second-order decay rate constant of 5.7 × 109 and 4.2 × 109 M–1 s–1, respectively. While in cyclohexane, an absorption band attributable to the specific species with a high-coordination silicon atom was observed at around 330 nm with a first-order decay rate constant of 5.7 × 104 and 1.2 × 104 s–1 for benzyltriethoxysilane and triethoxysilyldiphenylmethane, respectively. A two-step laser-induced fluorescence study of triethoxysilyldiphenylmethane supports the assignment that the transient absorption bands observed at around 330 nm in methanol and in cyclohexane are ascribed to the diphenylmethyl radical and the specific species of triethoxysilyldiphenylmethane with a high-coordination silicon atom, respectively. The candidates for this specific species with a high-coordination silicon atom have been calculated by means of the TD-DFT method and SAC-CI method, and their molecular structures were discussed.</description><identifier>ISSN: 1089-5639</identifier><identifier>EISSN: 1520-5215</identifier><identifier>DOI: 10.1021/jp308642z</identifier><identifier>PMID: 23662924</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>Ab initio calculations ; Absorption spectra ; Atomic and molecular physics ; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) ; Constants ; Cyclohexane ; Decay rate ; Density-functional theory ; Derivatives ; Electronic structure of atoms, molecules and their ions: theory ; Exact sciences and technology ; Methyl alcohol ; Molecular Structure ; Physics ; Quantum Theory ; Radicals ; Silanes - chemistry ; Silicon ; Silicon - chemistry</subject><ispartof>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (23), p.4817-4827</ispartof><rights>Copyright © 2013 American Chemical Society</rights><rights>2015 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-a338t-1851be2c8e1d3450c33f778008a92289aed27f3c573b67e7080602eb87167fb63</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/jp308642z$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/jp308642z$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,776,780,2752,27053,27901,27902,56713,56763</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=27483861$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/23662924$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Hiratsuka, Hiroshi</creatorcontrib><creatorcontrib>Horiuchi, Hiroaki</creatorcontrib><creatorcontrib>Kudo, Takako</creatorcontrib><creatorcontrib>Minegish, Takeshi</creatorcontrib><creatorcontrib>Yonemoto, Atsushi</creatorcontrib><creatorcontrib>Kusakari, Nobuharu</creatorcontrib><creatorcontrib>Okutsu, Tetsuo</creatorcontrib><creatorcontrib>Kamiyama, Naoki</creatorcontrib><creatorcontrib>Murakami, Shinji</creatorcontrib><title>Evidence for the Specific Species of Benzyltriethoxysilane Derivatives with a High-Coordination Silicon Atom</title><title>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</title><addtitle>J. Phys. Chem. A</addtitle><description>Evidence for the specific species of benzyltriethoxysilane derivatives with a high-coordination silicon atom is presented. Nanosecond laser flash photolyses of benzyltriethoxysilane and triethoxysilyldiphenylmethane have been studied in polar and nonpolar solvents. For the transient absorption spectra of benzyltriethoxysilane and triethoxysilyldiphenylmethane in methanol, a characteristic band attributed to the benzyl radical or diphenylmethyl radical was observed at around 317 and 330 nm, with a second-order decay rate constant of 5.7 × 109 and 4.2 × 109 M–1 s–1, respectively. While in cyclohexane, an absorption band attributable to the specific species with a high-coordination silicon atom was observed at around 330 nm with a first-order decay rate constant of 5.7 × 104 and 1.2 × 104 s–1 for benzyltriethoxysilane and triethoxysilyldiphenylmethane, respectively. A two-step laser-induced fluorescence study of triethoxysilyldiphenylmethane supports the assignment that the transient absorption bands observed at around 330 nm in methanol and in cyclohexane are ascribed to the diphenylmethyl radical and the specific species of triethoxysilyldiphenylmethane with a high-coordination silicon atom, respectively. The candidates for this specific species with a high-coordination silicon atom have been calculated by means of the TD-DFT method and SAC-CI method, and their molecular structures were discussed.</description><subject>Ab initio calculations</subject><subject>Absorption spectra</subject><subject>Atomic and molecular physics</subject><subject>Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)</subject><subject>Constants</subject><subject>Cyclohexane</subject><subject>Decay rate</subject><subject>Density-functional theory</subject><subject>Derivatives</subject><subject>Electronic structure of atoms, molecules and their ions: theory</subject><subject>Exact sciences and technology</subject><subject>Methyl alcohol</subject><subject>Molecular Structure</subject><subject>Physics</subject><subject>Quantum Theory</subject><subject>Radicals</subject><subject>Silanes - chemistry</subject><subject>Silicon</subject><subject>Silicon - chemistry</subject><issn>1089-5639</issn><issn>1520-5215</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqF0UtPwzAMAOAIgXgf-AMoFyQ4FPJo8zjCGAwJiQNwrtLUYZm6ZiTdYPx6ijbggsTJlvzJtmyEjig5p4TRi8mMEyVy9rGBdmnBSFYwWmz2OVE6KwTXO2gvpQkhhHKWb6MdxoVgmuW7qBkufA2tBexCxN0Y8OMMrHferhJIODh8Be3Hsumih24c3pfJN6YFfA3RL0znFz16890YGzzyL-NsEEKsfdtXQosffeNtHy-7MD1AW840CQ7XcR893wyfBqPs_uH2bnB5nxnOVZdRVdAKmFVAa54XxHLupFSEKKMZU9pAzaTjtpC8EhIkUUQQBpWSVEhXCb6PTld9ZzG8ziF15dQnC83X1mGeSioLnmvCc_o_5UIqqaXWPT1bURtDShFcOYt-auKypKT8-kP584feHq_bzqsp1D_y-_A9OFkDk6xpXDSt9enXyVxxJeivMzaVkzCPbX-4PwZ-Ag_am2U</recordid><startdate>20130613</startdate><enddate>20130613</enddate><creator>Hiratsuka, Hiroshi</creator><creator>Horiuchi, Hiroaki</creator><creator>Kudo, Takako</creator><creator>Minegish, Takeshi</creator><creator>Yonemoto, Atsushi</creator><creator>Kusakari, Nobuharu</creator><creator>Okutsu, Tetsuo</creator><creator>Kamiyama, Naoki</creator><creator>Murakami, Shinji</creator><general>American Chemical Society</general><scope>IQODW</scope><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><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20130613</creationdate><title>Evidence for the Specific Species of Benzyltriethoxysilane Derivatives with a High-Coordination Silicon Atom</title><author>Hiratsuka, Hiroshi ; Horiuchi, Hiroaki ; Kudo, Takako ; Minegish, Takeshi ; Yonemoto, Atsushi ; Kusakari, Nobuharu ; Okutsu, Tetsuo ; Kamiyama, Naoki ; Murakami, Shinji</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a338t-1851be2c8e1d3450c33f778008a92289aed27f3c573b67e7080602eb87167fb63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Ab initio calculations</topic><topic>Absorption spectra</topic><topic>Atomic and molecular physics</topic><topic>Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)</topic><topic>Constants</topic><topic>Cyclohexane</topic><topic>Decay rate</topic><topic>Density-functional theory</topic><topic>Derivatives</topic><topic>Electronic structure of atoms, molecules and their ions: theory</topic><topic>Exact sciences and technology</topic><topic>Methyl alcohol</topic><topic>Molecular Structure</topic><topic>Physics</topic><topic>Quantum Theory</topic><topic>Radicals</topic><topic>Silanes - chemistry</topic><topic>Silicon</topic><topic>Silicon - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hiratsuka, Hiroshi</creatorcontrib><creatorcontrib>Horiuchi, Hiroaki</creatorcontrib><creatorcontrib>Kudo, Takako</creatorcontrib><creatorcontrib>Minegish, Takeshi</creatorcontrib><creatorcontrib>Yonemoto, Atsushi</creatorcontrib><creatorcontrib>Kusakari, Nobuharu</creatorcontrib><creatorcontrib>Okutsu, Tetsuo</creatorcontrib><creatorcontrib>Kamiyama, Naoki</creatorcontrib><creatorcontrib>Murakami, Shinji</creatorcontrib><collection>Pascal-Francis</collection><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><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hiratsuka, Hiroshi</au><au>Horiuchi, Hiroaki</au><au>Kudo, Takako</au><au>Minegish, Takeshi</au><au>Yonemoto, Atsushi</au><au>Kusakari, Nobuharu</au><au>Okutsu, Tetsuo</au><au>Kamiyama, Naoki</au><au>Murakami, Shinji</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Evidence for the Specific Species of Benzyltriethoxysilane Derivatives with a High-Coordination Silicon Atom</atitle><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle><addtitle>J. Phys. Chem. A</addtitle><date>2013-06-13</date><risdate>2013</risdate><volume>117</volume><issue>23</issue><spage>4817</spage><epage>4827</epage><pages>4817-4827</pages><issn>1089-5639</issn><eissn>1520-5215</eissn><abstract>Evidence for the specific species of benzyltriethoxysilane derivatives with a high-coordination silicon atom is presented. Nanosecond laser flash photolyses of benzyltriethoxysilane and triethoxysilyldiphenylmethane have been studied in polar and nonpolar solvents. For the transient absorption spectra of benzyltriethoxysilane and triethoxysilyldiphenylmethane in methanol, a characteristic band attributed to the benzyl radical or diphenylmethyl radical was observed at around 317 and 330 nm, with a second-order decay rate constant of 5.7 × 109 and 4.2 × 109 M–1 s–1, respectively. While in cyclohexane, an absorption band attributable to the specific species with a high-coordination silicon atom was observed at around 330 nm with a first-order decay rate constant of 5.7 × 104 and 1.2 × 104 s–1 for benzyltriethoxysilane and triethoxysilyldiphenylmethane, respectively. A two-step laser-induced fluorescence study of triethoxysilyldiphenylmethane supports the assignment that the transient absorption bands observed at around 330 nm in methanol and in cyclohexane are ascribed to the diphenylmethyl radical and the specific species of triethoxysilyldiphenylmethane with a high-coordination silicon atom, respectively. The candidates for this specific species with a high-coordination silicon atom have been calculated by means of the TD-DFT method and SAC-CI method, and their molecular structures were discussed.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><pmid>23662924</pmid><doi>10.1021/jp308642z</doi><tpages>11</tpages></addata></record> |
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| ispartof | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (23), p.4817-4827 |
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| subjects | Ab initio calculations Absorption spectra Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Constants Cyclohexane Decay rate Density-functional theory Derivatives Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Methyl alcohol Molecular Structure Physics Quantum Theory Radicals Silanes - chemistry Silicon Silicon - chemistry |
| title | Evidence for the Specific Species of Benzyltriethoxysilane Derivatives with a High-Coordination Silicon Atom |
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