Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration
We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN + ) in the mid-infrared region. Experimentally, 1-CNN + ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calcu...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (5), p.4111-4117 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | Palotás, Julianna Daly, Francis C Douglas-Walker, Thomas E Campbell, Ewen K |
| description | We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN
+
) in the mid-infrared region. Experimentally, 1-CNN
+
ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calculations are carried out at a density functional theory level. The spectrum is dominated by the CN-stretch at 4.516 μm, with weaker CH modes near 3.2 μm.
We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN
+
) in the mid-infrared region. |
| doi_str_mv | 10.1039/d3cp05784d |
| format | Article |
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) in the mid-infrared region. Experimentally, 1-CNN
+
ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calculations are carried out at a density functional theory level. The spectrum is dominated by the CN-stretch at 4.516 μm, with weaker CH modes near 3.2 μm.
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+
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) in the mid-infrared region. Experimentally, 1-CNN
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ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calculations are carried out at a density functional theory level. The spectrum is dominated by the CN-stretch at 4.516 μm, with weaker CH modes near 3.2 μm.
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+
) in the mid-infrared region.</description><subject>Density functional theory</subject><subject>Infrared spectra</subject><subject>Low temperature</subject><subject>Quantum chemistry</subject><subject>Vibrational spectra</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNpdkU1LxDAQhoMo7rp68a4UvIhQTZqmaY-y6xes6EG9ljSZsF3apCbtYf-92Q9X8DTDzMPL8AxC5wTfEkyLO0VlhxnPU3WAxiTNaFzgPD3c9zwboRPvlxhjwgg9RiOaJ0mWUTJGX6-1imujnXCgIt-B7J310naryOqIxHIljDWiW_QL0YCBSIq-tibS1kXCB1YuoK2laCJpja8VuM3-FB1p0Xg429UJ-nx8-Jg-x_O3p5fp_TyWlCZ9rITWBUsFSQUDAJbrnKhEYx7mnCqGWa4IqDRhFcaSVZTJgvIqExXjCYGCTtD1Nrdz9nsA35dt7SU0jTBgB18mBWGME5qt0at_6NIOzoTrApVgwjEJNifoZkvJoME70GXn6la4VUlwubZdzuj0fWN7FuDLXeRQtaD26K_eAFxsAeflfvv3LvoDvu2Eqg</recordid><startdate>20240131</startdate><enddate>20240131</enddate><creator>Palotás, Julianna</creator><creator>Daly, Francis C</creator><creator>Douglas-Walker, Thomas E</creator><creator>Campbell, Ewen K</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0009-0003-2514-5812</orcidid><orcidid>https://orcid.org/0000-0002-1748-4449</orcidid><orcidid>https://orcid.org/0000-0003-0719-0823</orcidid><orcidid>https://orcid.org/0009-0006-8530-221X</orcidid></search><sort><creationdate>20240131</creationdate><title>Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration</title><author>Palotás, Julianna ; Daly, Francis C ; Douglas-Walker, Thomas E ; Campbell, Ewen K</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c332t-daff954a14a5eee58f81d2f07aff73d5058d1ed425b00c5b35c937b6ab5721e93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Density functional theory</topic><topic>Infrared spectra</topic><topic>Low temperature</topic><topic>Quantum chemistry</topic><topic>Vibrational spectra</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Palotás, Julianna</creatorcontrib><creatorcontrib>Daly, Francis C</creatorcontrib><creatorcontrib>Douglas-Walker, Thomas E</creatorcontrib><creatorcontrib>Campbell, Ewen K</creatorcontrib><collection>PubMed</collection><collection>CrossRef</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><collection>MEDLINE - Academic</collection><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Palotás, Julianna</au><au>Daly, Francis C</au><au>Douglas-Walker, Thomas E</au><au>Campbell, Ewen K</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><addtitle>Phys Chem Chem Phys</addtitle><date>2024-01-31</date><risdate>2024</risdate><volume>26</volume><issue>5</issue><spage>4111</spage><epage>4117</epage><pages>4111-4117</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>We present the low temperature gas-phase vibrational spectrum of ionised 1-cyanonaphthalene (1-CNN
+
) in the mid-infrared region. Experimentally, 1-CNN
+
ions are cooled below 10 K in a cryogenic ion trapping apparatus, tagged with He atoms and probed with tuneable radiation. Quantum-chemical calculations are carried out at a density functional theory level. The spectrum is dominated by the CN-stretch at 4.516 μm, with weaker CH modes near 3.2 μm.
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+
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| fulltext | fulltext |
| identifier | ISSN: 1463-9076 |
| ispartof | Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4111-4117 |
| issn | 1463-9076 1463-9084 |
| language | eng |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Density functional theory Infrared spectra Low temperature Quantum chemistry Vibrational spectra |
| title | Mid-infrared spectroscopy of 1-cyanonaphthalene cation for astrochemical consideration |
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