Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes
Organosilanes are used in a broad range of industrial, cosmetic, and personal care products. They serve as bridges between inorganic or organic substrates and organic/polymeric matrices. They are also versatile intermediates and can be used for a variety of synthetic applications. They do not exist...
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Veröffentlicht in: | Talanta (Oxford) 2021-02, Vol.223 (Pt 2), p.121781-121781, Article 121781 |
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description | Organosilanes are used in a broad range of industrial, cosmetic, and personal care products. They serve as bridges between inorganic or organic substrates and organic/polymeric matrices. They are also versatile intermediates and can be used for a variety of synthetic applications. They do not exist naturally and have to be synthesized. Evaluation of intermediates and products resulting from the synthesis processes of organosilanes can be challenging. In this study, gas chromatography with vacuum ultraviolet spectroscopic detection (VUV) was used to analyze Si-containing compounds that are commercially available or were synthetically prepared. VUV measures full scan absorption in the range of 120–240 nm, a region that provides unique absorption signatures for chemical compounds. VUV absorption spectra of organosilanes showed rich and featured characteristics in this wavelength range. Theoretical computations of VUV absorption spectra based on time-dependent density functional theory were also explored as a complementary tool for identification. In addition, the synthesis process of isomeric benzodioxasiline compounds (ortho-, meta-, and para-) was monitored by GC-VUV. It was demonstrated that GC-VUV can be used for easy and rapid differentiation of organosilanes, including structural isomers.
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•GC-VUV of Si-containing pharmaceutical building blocks were analyzed.•VUV absorption of Si- and C-containing chemical compounds compared.•Theoretical computation of VUV absorption spectra for Si-containing compounds.•Chemical reaction monitoring for Si-containing isomeric chemical compounds. |
doi_str_mv | 10.1016/j.talanta.2020.121781 |
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[Display omitted]
•GC-VUV of Si-containing pharmaceutical building blocks were analyzed.•VUV absorption of Si- and C-containing chemical compounds compared.•Theoretical computation of VUV absorption spectra for Si-containing compounds.•Chemical reaction monitoring for Si-containing isomeric chemical compounds.</description><identifier>ISSN: 0039-9140</identifier><identifier>EISSN: 1873-3573</identifier><identifier>DOI: 10.1016/j.talanta.2020.121781</identifier><identifier>PMID: 33298286</identifier><language>eng</language><publisher>Netherlands: Elsevier B.V</publisher><subject>Gas phase absorption spectrosphotometry ; Reaction monitoring ; Silicon-containing compounds ; Theoretical computation ; Time-dependent density functional theory</subject><ispartof>Talanta (Oxford), 2021-02, Vol.223 (Pt 2), p.121781-121781, Article 121781</ispartof><rights>2020 Elsevier B.V.</rights><rights>Copyright © 2020 Elsevier B.V. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c365t-701730b9695c64c32a651b2b0568a179593707bf22d89960a7cd7ee05cd54b4f3</citedby><cites>FETCH-LOGICAL-c365t-701730b9695c64c32a651b2b0568a179593707bf22d89960a7cd7ee05cd54b4f3</cites><orcidid>0000-0001-8632-8098 ; 0000-0002-2280-0960</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0039914020310729$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33298286$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Qiu, Changling</creatorcontrib><creatorcontrib>Asgari, Parham</creatorcontrib><creatorcontrib>Mao, X. James</creatorcontrib><creatorcontrib>Jeon, Junha</creatorcontrib><creatorcontrib>Schug, Kevin A.</creatorcontrib><title>Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes</title><title>Talanta (Oxford)</title><addtitle>Talanta</addtitle><description>Organosilanes are used in a broad range of industrial, cosmetic, and personal care products. They serve as bridges between inorganic or organic substrates and organic/polymeric matrices. They are also versatile intermediates and can be used for a variety of synthetic applications. They do not exist naturally and have to be synthesized. Evaluation of intermediates and products resulting from the synthesis processes of organosilanes can be challenging. In this study, gas chromatography with vacuum ultraviolet spectroscopic detection (VUV) was used to analyze Si-containing compounds that are commercially available or were synthetically prepared. VUV measures full scan absorption in the range of 120–240 nm, a region that provides unique absorption signatures for chemical compounds. VUV absorption spectra of organosilanes showed rich and featured characteristics in this wavelength range. Theoretical computations of VUV absorption spectra based on time-dependent density functional theory were also explored as a complementary tool for identification. In addition, the synthesis process of isomeric benzodioxasiline compounds (ortho-, meta-, and para-) was monitored by GC-VUV. It was demonstrated that GC-VUV can be used for easy and rapid differentiation of organosilanes, including structural isomers.
[Display omitted]
•GC-VUV of Si-containing pharmaceutical building blocks were analyzed.•VUV absorption of Si- and C-containing chemical compounds compared.•Theoretical computation of VUV absorption spectra for Si-containing compounds.•Chemical reaction monitoring for Si-containing isomeric chemical compounds.</description><subject>Gas phase absorption spectrosphotometry</subject><subject>Reaction monitoring</subject><subject>Silicon-containing compounds</subject><subject>Theoretical computation</subject><subject>Time-dependent density functional theory</subject><issn>0039-9140</issn><issn>1873-3573</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNqFkMFOwzAQRC0EoqXwCaAcuaSs7diOTwhVUJCKuMDZchyndZXUwU4q9e9JlcKV00qrmZ3Zh9AthjkGzB-2807XetfpOQEy7AgWOT5DU5wLmlIm6DmaAlCZSpzBBF3FuAUAQoFeogmlROYk51P0vtQxMZvgG935ddDt5pDuten7JunrLui987Xtktha0wUfjW-dSfRO14foYuKrxIe13vnohi42XqOLStfR3pzmDH29PH8uXtPVx_Jt8bRKDeWsSwVgQaGQXDLDM0OJ5gwXpADGc42FZJIKEEVFSJlLyUELUwprgZmSZUVW0Rm6H--2wX_3NnaqcdHY-ljC91GRjEuQGWMwSNkoNUP9GGyl2uAaHQ4KgzqSVFt1IqmOJNVIcvDdnSL6orHln-sX3SB4HAV2eHTvbFDROLsztnRhgKVK7_6J-AFMLYen</recordid><startdate>20210201</startdate><enddate>20210201</enddate><creator>Qiu, Changling</creator><creator>Asgari, Parham</creator><creator>Mao, X. James</creator><creator>Jeon, Junha</creator><creator>Schug, Kevin A.</creator><general>Elsevier B.V</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-8632-8098</orcidid><orcidid>https://orcid.org/0000-0002-2280-0960</orcidid></search><sort><creationdate>20210201</creationdate><title>Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes</title><author>Qiu, Changling ; Asgari, Parham ; Mao, X. James ; Jeon, Junha ; Schug, Kevin A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c365t-701730b9695c64c32a651b2b0568a179593707bf22d89960a7cd7ee05cd54b4f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Gas phase absorption spectrosphotometry</topic><topic>Reaction monitoring</topic><topic>Silicon-containing compounds</topic><topic>Theoretical computation</topic><topic>Time-dependent density functional theory</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Qiu, Changling</creatorcontrib><creatorcontrib>Asgari, Parham</creatorcontrib><creatorcontrib>Mao, X. James</creatorcontrib><creatorcontrib>Jeon, Junha</creatorcontrib><creatorcontrib>Schug, Kevin A.</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Talanta (Oxford)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Qiu, Changling</au><au>Asgari, Parham</au><au>Mao, X. James</au><au>Jeon, Junha</au><au>Schug, Kevin A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes</atitle><jtitle>Talanta (Oxford)</jtitle><addtitle>Talanta</addtitle><date>2021-02-01</date><risdate>2021</risdate><volume>223</volume><issue>Pt 2</issue><spage>121781</spage><epage>121781</epage><pages>121781-121781</pages><artnum>121781</artnum><issn>0039-9140</issn><eissn>1873-3573</eissn><abstract>Organosilanes are used in a broad range of industrial, cosmetic, and personal care products. They serve as bridges between inorganic or organic substrates and organic/polymeric matrices. They are also versatile intermediates and can be used for a variety of synthetic applications. They do not exist naturally and have to be synthesized. Evaluation of intermediates and products resulting from the synthesis processes of organosilanes can be challenging. In this study, gas chromatography with vacuum ultraviolet spectroscopic detection (VUV) was used to analyze Si-containing compounds that are commercially available or were synthetically prepared. VUV measures full scan absorption in the range of 120–240 nm, a region that provides unique absorption signatures for chemical compounds. VUV absorption spectra of organosilanes showed rich and featured characteristics in this wavelength range. Theoretical computations of VUV absorption spectra based on time-dependent density functional theory were also explored as a complementary tool for identification. In addition, the synthesis process of isomeric benzodioxasiline compounds (ortho-, meta-, and para-) was monitored by GC-VUV. It was demonstrated that GC-VUV can be used for easy and rapid differentiation of organosilanes, including structural isomers.
[Display omitted]
•GC-VUV of Si-containing pharmaceutical building blocks were analyzed.•VUV absorption of Si- and C-containing chemical compounds compared.•Theoretical computation of VUV absorption spectra for Si-containing compounds.•Chemical reaction monitoring for Si-containing isomeric chemical compounds.</abstract><cop>Netherlands</cop><pub>Elsevier B.V</pub><pmid>33298286</pmid><doi>10.1016/j.talanta.2020.121781</doi><tpages>1</tpages><orcidid>https://orcid.org/0000-0001-8632-8098</orcidid><orcidid>https://orcid.org/0000-0002-2280-0960</orcidid></addata></record> |
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subjects | Gas phase absorption spectrosphotometry Reaction monitoring Silicon-containing compounds Theoretical computation Time-dependent density functional theory |
title | Gas chromatography-vacuum ultraviolet spectroscopic analysis of organosilanes |
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