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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics 2021-09, Vol.155 (12), p.124302-124302
Hauptverfasser: Cao, Xianwen, Xing, Lu, Wang, Ying, Wang, Shenghan, Sun, Chenglin, Men, Zhiwei
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 124302
container_issue 12
container_start_page 124302
container_title The Journal of chemical physics
container_volume 155
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
format Article
fullrecord <record><control><sourceid>proquest_scita</sourceid><recordid>TN_cdi_proquest_journals_2575141859</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2575141859</sourcerecordid><originalsourceid>FETCH-LOGICAL-c325t-8e7e0ba881528d262d5920df397a3cfbb02e45a2633021d43983c6233865b8063</originalsourceid><addsrcrecordid>eNp9kcFqFTEUhoNY8Nq68A0CblSYepJMMslSWmuFglB0PWQyZyBlJhmTDOXufATBN-yTmN7blYuuDhw-vsP_H0LeMjhnoMQneQ6gwCjzguwYaNN0ysBLsgPgrDEK1CvyOuc7AGAdb3fkzyUWTIsPtvgYaJxowWXFZMuWsBlxxTBiKPTqEaIJcww2OKQ-UOuwxOBL8jM-_P57b6uIDtWU9jTHeTsIhz0t97EZ_YIh14WdqYsp4Xy8d2sXG2he0ZUUs4vr_oycTHbO-OZpnpKfV19-XFw3N9-_frv4fNM4wWVpNHYIg9WaSa5HrvgoDYdxEqazwk3DABxbabkSoiYfW2G0cIoLoZUcdG3qlLw_etcUf22YS7_47HCebcC45Z7LTnedkLyt6Lv_0Lu4pRrlQEnWMi1NpT4cKVeT5IRTvya_1DJ6Bv3jb3rZP_2msh-PbHa-HJp4Bv4HyBORuQ</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2575141859</pqid></control><display><type>article</type><title>Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Cao, Xianwen ; Xing, Lu ; Wang, Ying ; Wang, Shenghan ; Sun, Chenglin ; Men, Zhiwei</creator><creatorcontrib>Cao, Xianwen ; Xing, Lu ; Wang, Ying ; Wang, Shenghan ; Sun, Chenglin ; Men, Zhiwei</creatorcontrib><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.</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). Published under an exclusive license by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c325t-8e7e0ba881528d262d5920df397a3cfbb02e45a2633021d43983c6233865b8063</citedby><cites>FETCH-LOGICAL-c325t-8e7e0ba881528d262d5920df397a3cfbb02e45a2633021d43983c6233865b8063</cites><orcidid>0000-0002-1904-7461 ; 0000-0001-9586-2997</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/5.0060969$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,780,784,794,4512,27924,27925,76384</link.rule.ids></links><search><creatorcontrib>Cao, Xianwen</creatorcontrib><creatorcontrib>Xing, Lu</creatorcontrib><creatorcontrib>Wang, Ying</creatorcontrib><creatorcontrib>Wang, Shenghan</creatorcontrib><creatorcontrib>Sun, Chenglin</creatorcontrib><creatorcontrib>Men, Zhiwei</creatorcontrib><title>Determination of temperature-dependent Fermi resonance in acetonitrile–water binary solution by two-dimensional correlation Raman spectroscopy</title><title>The Journal of chemical physics</title><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.</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>
fulltext fulltext
identifier ISSN: 0021-9606
ispartof The Journal of chemical physics, 2021-09, Vol.155 (12), p.124302-124302
issn 0021-9606
1089-7690
language eng
recordid cdi_proquest_journals_2575141859
source AIP Journals Complete; Alma/SFX Local Collection
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
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-18T15%3A44%3A04IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_scita&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Determination%20of%20temperature-dependent%20Fermi%20resonance%20in%20acetonitrile%E2%80%93water%20binary%20solution%20by%20two-dimensional%20correlation%20Raman%20spectroscopy&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Cao,%20Xianwen&rft.date=2021-09-28&rft.volume=155&rft.issue=12&rft.spage=124302&rft.epage=124302&rft.pages=124302-124302&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/5.0060969&rft_dat=%3Cproquest_scita%3E2575141859%3C/proquest_scita%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2575141859&rft_id=info:pmid/&rfr_iscdi=true