Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy
Acetonitrile (AN), as an organic solvent, has a wide range of applications. The C≡N stretching vibration mode (ν2) and the combination mode (ν3 + ν4) are coupled by Fermi resonance (FR). In this work, the phase transition and the interaction mechanism of the 60% AN–water binary solution (AN–Water) w...
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Veröffentlicht in: | The Journal of chemical physics 2021-09, Vol.155 (12), p.124302-124302 |
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creator | Cao, Xianwen Xing, Lu Wang, Ying Wang, Shenghan Sun, Chenglin Men, Zhiwei |
description | Acetonitrile (AN), as an organic solvent, has a wide range of applications. The C≡N stretching vibration mode (ν2) and the combination mode (ν3 + ν4) are coupled by Fermi resonance (FR). In this work, the phase transition and the interaction mechanism of the 60% AN–water binary solution (AN–Water) were analyzed by calculating FR parameters and two-dimensional correlation Raman spectroscopy (2DCRS). The change in the ν2 band and the base bands ν3 and ν4 caused energy transfer by anharmonic interaction, which led to a change in FR parameters. With a reduced temperature, the energy transfer was caused by microheterogeneity and the energy transfer effect (293–273 K), the phase separation (263–233 K), and the phase transition of AN (223–173 K). The 2DCRS and Gaussian deconvolution provided more information on FR, which revealed the interaction mechanism of the Fermi doublet. The polarity and binding modes of molecules provided a new perspective for analyzing the transmission of electrons and ions in the electrolyte at different temperatures. |
doi_str_mv | 10.1063/5.0060969 |
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The C≡N stretching vibration mode (ν2) and the combination mode (ν3 + ν4) are coupled by Fermi resonance (FR). In this work, the phase transition and the interaction mechanism of the 60% AN–water binary solution (AN–Water) were analyzed by calculating FR parameters and two-dimensional correlation Raman spectroscopy (2DCRS). The change in the ν2 band and the base bands ν3 and ν4 caused energy transfer by anharmonic interaction, which led to a change in FR parameters. With a reduced temperature, the energy transfer was caused by microheterogeneity and the energy transfer effect (293–273 K), the phase separation (263–233 K), and the phase transition of AN (223–173 K). The 2DCRS and Gaussian deconvolution provided more information on FR, which revealed the interaction mechanism of the Fermi doublet. The polarity and binding modes of molecules provided a new perspective for analyzing the transmission of electrons and ions in the electrolyte at different temperatures.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/5.0060969</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Acetonitrile ; Anharmonicity ; Coupled modes ; Energy transfer ; Parameters ; Phase separation ; Phase transitions ; Physics ; Raman spectroscopy ; Resonance ; Spectrum analysis ; Temperature dependence ; Vibration mode</subject><ispartof>The Journal of chemical physics, 2021-09, Vol.155 (12), p.124302-124302</ispartof><rights>Author(s)</rights><rights>2021 Author(s). 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The C≡N stretching vibration mode (ν2) and the combination mode (ν3 + ν4) are coupled by Fermi resonance (FR). In this work, the phase transition and the interaction mechanism of the 60% AN–water binary solution (AN–Water) were analyzed by calculating FR parameters and two-dimensional correlation Raman spectroscopy (2DCRS). The change in the ν2 band and the base bands ν3 and ν4 caused energy transfer by anharmonic interaction, which led to a change in FR parameters. With a reduced temperature, the energy transfer was caused by microheterogeneity and the energy transfer effect (293–273 K), the phase separation (263–233 K), and the phase transition of AN (223–173 K). The 2DCRS and Gaussian deconvolution provided more information on FR, which revealed the interaction mechanism of the Fermi doublet. The polarity and binding modes of molecules provided a new perspective for analyzing the transmission of electrons and ions in the electrolyte at different temperatures.</description><subject>Acetonitrile</subject><subject>Anharmonicity</subject><subject>Coupled modes</subject><subject>Energy transfer</subject><subject>Parameters</subject><subject>Phase separation</subject><subject>Phase transitions</subject><subject>Physics</subject><subject>Raman spectroscopy</subject><subject>Resonance</subject><subject>Spectrum analysis</subject><subject>Temperature dependence</subject><subject>Vibration mode</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kcFqFTEUhoNY8Nq68A0CblSYepJMMslSWmuFglB0PWQyZyBlJhmTDOXufATBN-yTmN7blYuuDhw-vsP_H0LeMjhnoMQneQ6gwCjzguwYaNN0ysBLsgPgrDEK1CvyOuc7AGAdb3fkzyUWTIsPtvgYaJxowWXFZMuWsBlxxTBiKPTqEaIJcww2OKQ-UOuwxOBL8jM-_P57b6uIDtWU9jTHeTsIhz0t97EZ_YIh14WdqYsp4Xy8d2sXG2he0ZUUs4vr_oycTHbO-OZpnpKfV19-XFw3N9-_frv4fNM4wWVpNHYIg9WaSa5HrvgoDYdxEqazwk3DABxbabkSoiYfW2G0cIoLoZUcdG3qlLw_etcUf22YS7_47HCebcC45Z7LTnedkLyt6Lv_0Lu4pRrlQEnWMi1NpT4cKVeT5IRTvya_1DJ6Bv3jb3rZP_2msh-PbHa-HJp4Bv4HyBORuQ</recordid><startdate>20210928</startdate><enddate>20210928</enddate><creator>Cao, Xianwen</creator><creator>Xing, Lu</creator><creator>Wang, Ying</creator><creator>Wang, Shenghan</creator><creator>Sun, Chenglin</creator><creator>Men, Zhiwei</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-1904-7461</orcidid><orcidid>https://orcid.org/0000-0001-9586-2997</orcidid></search><sort><creationdate>20210928</creationdate><title>Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy</title><author>Cao, Xianwen ; Xing, Lu ; Wang, Ying ; Wang, Shenghan ; Sun, Chenglin ; Men, Zhiwei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c325t-8e7e0ba881528d262d5920df397a3cfbb02e45a2633021d43983c6233865b8063</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Acetonitrile</topic><topic>Anharmonicity</topic><topic>Coupled modes</topic><topic>Energy transfer</topic><topic>Parameters</topic><topic>Phase separation</topic><topic>Phase transitions</topic><topic>Physics</topic><topic>Raman spectroscopy</topic><topic>Resonance</topic><topic>Spectrum analysis</topic><topic>Temperature dependence</topic><topic>Vibration mode</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cao, Xianwen</creatorcontrib><creatorcontrib>Xing, Lu</creatorcontrib><creatorcontrib>Wang, Ying</creatorcontrib><creatorcontrib>Wang, Shenghan</creatorcontrib><creatorcontrib>Sun, Chenglin</creatorcontrib><creatorcontrib>Men, Zhiwei</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cao, Xianwen</au><au>Xing, Lu</au><au>Wang, Ying</au><au>Wang, Shenghan</au><au>Sun, Chenglin</au><au>Men, Zhiwei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy</atitle><jtitle>The Journal of chemical physics</jtitle><date>2021-09-28</date><risdate>2021</risdate><volume>155</volume><issue>12</issue><spage>124302</spage><epage>124302</epage><pages>124302-124302</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>Acetonitrile (AN), as an organic solvent, has a wide range of applications. The C≡N stretching vibration mode (ν2) and the combination mode (ν3 + ν4) are coupled by Fermi resonance (FR). In this work, the phase transition and the interaction mechanism of the 60% AN–water binary solution (AN–Water) were analyzed by calculating FR parameters and two-dimensional correlation Raman spectroscopy (2DCRS). The change in the ν2 band and the base bands ν3 and ν4 caused energy transfer by anharmonic interaction, which led to a change in FR parameters. With a reduced temperature, the energy transfer was caused by microheterogeneity and the energy transfer effect (293–273 K), the phase separation (263–233 K), and the phase transition of AN (223–173 K). The 2DCRS and Gaussian deconvolution provided more information on FR, which revealed the interaction mechanism of the Fermi doublet. The polarity and binding modes of molecules provided a new perspective for analyzing the transmission of electrons and ions in the electrolyte at different temperatures.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/5.0060969</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0002-1904-7461</orcidid><orcidid>https://orcid.org/0000-0001-9586-2997</orcidid></addata></record> |
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subjects | Acetonitrile Anharmonicity Coupled modes Energy transfer Parameters Phase separation Phase transitions Physics Raman spectroscopy Resonance Spectrum analysis Temperature dependence Vibration mode |
title | Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy |
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