Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands
The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable i...
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Veröffentlicht in: | The Journal of chemical physics 2016-11, Vol.145 (17), p.174302-174302 |
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creator | Norooz Oliaee, J. Dehghany, M. Rezaei, Mojtaba McKellar, A. R. W. Moazzen-Ahmadi, N. |
description | The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned. |
doi_str_mv | 10.1063/1.4966146 |
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R. W. ; Moazzen-Ahmadi, N.</creator><creatorcontrib>Norooz Oliaee, J. ; Dehghany, M. ; Rezaei, Mojtaba ; McKellar, A. R. W. ; Moazzen-Ahmadi, N.</creatorcontrib><description>The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4966146</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Carbon dioxide ; Coriolis force ; Dimers ; Infrared lasers ; Physics ; Torsion ; Tunable lasers</subject><ispartof>The Journal of chemical physics, 2016-11, Vol.145 (17), p.174302-174302</ispartof><rights>Author(s)</rights><rights>2016 Author(s). 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W.</creatorcontrib><creatorcontrib>Moazzen-Ahmadi, N.</creatorcontrib><title>Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands</title><title>The Journal of chemical physics</title><description>The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned.</description><subject>Carbon dioxide</subject><subject>Coriolis force</subject><subject>Dimers</subject><subject>Infrared lasers</subject><subject>Physics</subject><subject>Torsion</subject><subject>Tunable lasers</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNqd0E1LxDAQBuAgCq4fB_9BwIsKXfPRpu1RFleFhb0oHkOSTjBL26xJW_DfG3cXBI-ehoHnHWYGoStK5pQIfk_neS0EzcURmlFS1VkpanKMZoQwmtWCiFN0FuOGEEJLls_Q-9JNgF0_QOh8C2ZsVcCT00ENzvcRe4uHD8CLNcON6yBgryOECZqEVMrZoEJqjO-063cZrFXfxAt0YlUb4fJQz9Hb8vF18Zyt1k8vi4dVZrggQwbGQKWBqbopCm0bxqgFJnJdQ8OqsmIKuFZ5ZUCXheKE25xCZZkuDJQaOD9HN_u52-A_R4iD7Fw00LaqBz9GSSteU0ZLwRK9_kM3fgx92k6yRApCalEmdbtXJvgYA1i5Da5T4UtSIn9eLKk8vDjZu72Nxg274_-HJx9-odw2ln8D8CWKvA</recordid><startdate>20161107</startdate><enddate>20161107</enddate><creator>Norooz Oliaee, J.</creator><creator>Dehghany, M.</creator><creator>Rezaei, Mojtaba</creator><creator>McKellar, A. R. W.</creator><creator>Moazzen-Ahmadi, N.</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/0000-0001-7303-3573</orcidid></search><sort><creationdate>20161107</creationdate><title>Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands</title><author>Norooz Oliaee, J. ; Dehghany, M. ; Rezaei, Mojtaba ; McKellar, A. R. W. ; Moazzen-Ahmadi, N.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c360t-ecce8be2a9d55bfd221fe264b9ed28782ae3ba48ceb75a303f41e8f2b5ce7be33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Carbon dioxide</topic><topic>Coriolis force</topic><topic>Dimers</topic><topic>Infrared lasers</topic><topic>Physics</topic><topic>Torsion</topic><topic>Tunable lasers</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Norooz Oliaee, J.</creatorcontrib><creatorcontrib>Dehghany, M.</creatorcontrib><creatorcontrib>Rezaei, Mojtaba</creatorcontrib><creatorcontrib>McKellar, A. R. W.</creatorcontrib><creatorcontrib>Moazzen-Ahmadi, N.</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>Norooz Oliaee, J.</au><au>Dehghany, M.</au><au>Rezaei, Mojtaba</au><au>McKellar, A. R. W.</au><au>Moazzen-Ahmadi, N.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands</atitle><jtitle>The Journal of chemical physics</jtitle><date>2016-11-07</date><risdate>2016</risdate><volume>145</volume><issue>17</issue><spage>174302</spage><epage>174302</epage><pages>174302-174302</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>The weakly bound van der Waals dimer (CO2)2 has long been of considerable theoretical and experimental interest. Here, we study its low frequency intermolecular vibrations by means of combination bands in the region of the CO2 monomer ν3 fundamental (≈2350 cm−1), which are observed using a tunable infrared laser to probe a pulsed supersonic slit jet expansion. With the help of a recent high level ab initio calculation by Wang, Carrington, and Dawes, four intermolecular frequencies are assigned: the in-plane disrotatory bend (22.26 cm−1); the out-of-plane torsion (23.24 cm−1); twice the disrotatory bend (31.51 cm−1); and the in-plane conrotatory bend (92.25 cm−1). The disrotatory bend and torsion, separated by only 0.98 cm−1, are strongly mixed by Coriolis interactions. The disrotatory bend overtone is well behaved, but the conrotatory bend is highly perturbed and could not be well fitted. The latter perturbations could be due to tunneling effects, which have not previously been observed experimentally for CO2 dimer. A fifth combination band, located 1.3 cm−1 below the conrotatory bend, remains unassigned.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4966146</doi><tpages>6</tpages><orcidid>https://orcid.org/0000-0001-7303-3573</orcidid></addata></record> |
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subjects | Carbon dioxide Coriolis force Dimers Infrared lasers Physics Torsion Tunable lasers |
title | Five intermolecular vibrations of the CO2 dimer observed via infrared combination bands |
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