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Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear Iron–Copper Carbonyl Cluster Anions in the Gas Phase
Mass-selected heteronuclear iron–copper carbonyl cluster anions CuFe(CO) n – (n = 4–7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their g...
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Published in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (18), p.4142-4150 |
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container_end_page | 4150 |
container_issue | 18 |
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container_title | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory |
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creator | Zhang, Ning Luo, Mingbiao Chi, Chaoxian Wang, Guanjun Cui, Jieming Zhou, Mingfei |
description | Mass-selected heteronuclear iron–copper carbonyl cluster anions CuFe(CO) n – (n = 4–7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the experimental spectra with those calculated by density functional theory. The experimentally observed CuFe(CO) n – (n = 4–7) cluster anions are characterized to have (OC)4Fe–Cu(CO) n−4 structures, each involving a C 3v symmetry Fe(CO)4 – building block. Bonding analysis indicates that the Fe–Cu bond in the CuFe(CO) n – (n = 4–7) cluster anions is a σ type single bond with the iron center possessing the most favored 18-electron configuration. The results provide important new insight into the structure and bonding of hetronuclear transition metal carbonyl cluster anions. |
doi_str_mv | 10.1021/acs.jpca.5b02442 |
format | article |
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The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the experimental spectra with those calculated by density functional theory. The experimentally observed CuFe(CO) n – (n = 4–7) cluster anions are characterized to have (OC)4Fe–Cu(CO) n−4 structures, each involving a C 3v symmetry Fe(CO)4 – building block. Bonding analysis indicates that the Fe–Cu bond in the CuFe(CO) n – (n = 4–7) cluster anions is a σ type single bond with the iron center possessing the most favored 18-electron configuration. The results provide important new insight into the structure and bonding of hetronuclear transition metal carbonyl cluster anions.</description><identifier>ISSN: 1089-5639</identifier><identifier>EISSN: 1520-5215</identifier><identifier>DOI: 10.1021/acs.jpca.5b02442</identifier><identifier>PMID: 25871820</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Anions ; Bonding ; Carbonyls ; Clusters ; Gas phases ; Infrared ; Photodissociation ; Spectroscopy</subject><ispartof>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (18), p.4142-4150</ispartof><rights>Copyright © American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a369t-ba6033dd87c17ab0bf1c4f07f9b7c7b7f4cd2f526079102d7761a5656290d0bd3</citedby><cites>FETCH-LOGICAL-a369t-ba6033dd87c17ab0bf1c4f07f9b7c7b7f4cd2f526079102d7761a5656290d0bd3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/25871820$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhang, Ning</creatorcontrib><creatorcontrib>Luo, Mingbiao</creatorcontrib><creatorcontrib>Chi, Chaoxian</creatorcontrib><creatorcontrib>Wang, Guanjun</creatorcontrib><creatorcontrib>Cui, Jieming</creatorcontrib><creatorcontrib>Zhou, Mingfei</creatorcontrib><title>Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear Iron–Copper Carbonyl Cluster Anions in the Gas Phase</title><title>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</title><addtitle>J. Phys. Chem. A</addtitle><description>Mass-selected heteronuclear iron–copper carbonyl cluster anions CuFe(CO) n – (n = 4–7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the experimental spectra with those calculated by density functional theory. The experimentally observed CuFe(CO) n – (n = 4–7) cluster anions are characterized to have (OC)4Fe–Cu(CO) n−4 structures, each involving a C 3v symmetry Fe(CO)4 – building block. Bonding analysis indicates that the Fe–Cu bond in the CuFe(CO) n – (n = 4–7) cluster anions is a σ type single bond with the iron center possessing the most favored 18-electron configuration. The results provide important new insight into the structure and bonding of hetronuclear transition metal carbonyl cluster anions.</description><subject>Anions</subject><subject>Bonding</subject><subject>Carbonyls</subject><subject>Clusters</subject><subject>Gas phases</subject><subject>Infrared</subject><subject>Photodissociation</subject><subject>Spectroscopy</subject><issn>1089-5639</issn><issn>1520-5215</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNqFkU9P3DAQxS1UBJRy51T52EOzjJ3YTo4oamElKpCg58h_RVA2Tj3JYQ-V-A58w36Smu62t4rTjEa_90Z6j5BzBisGnF1oi6unyeqVMMCrih-QEyY4FIIz8S7vUDeFkGVzTN4jPgEAK3l1RI65qBWrOZyQn-sxJJ28o3ePcY6uR4y213MfR3o_eTuniDZOWxoD_aYRi3s_5Gvmr_3sUxwXO3id6Dqvv55f2jhNPtFWJxPH7UDbYcGM0csxGyLtRzo_enqlMb_T6D-Qw6AH9Gf7eUq-f_3y0F4XN7dX6_byptClbObCaAll6VytLFPagAnMVgFUaIyyyqhQWceD4BJUk3NxSkmmhRSSN-DAuPKUfNr5Tin-WDzO3aZH64dBjz4u2DElOciScfE2KmtgTcWhzijsUJtDwuRDN6V-o9O2Y9C99tPlfrrXfrp9P1nyce--mI13_wR_C8nA5x3wRxqXNOZc_u_3G3gTnic</recordid><startdate>20150507</startdate><enddate>20150507</enddate><creator>Zhang, Ning</creator><creator>Luo, Mingbiao</creator><creator>Chi, Chaoxian</creator><creator>Wang, Guanjun</creator><creator>Cui, Jieming</creator><creator>Zhou, Mingfei</creator><general>American Chemical Society</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20150507</creationdate><title>Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear Iron–Copper Carbonyl Cluster Anions in the Gas Phase</title><author>Zhang, Ning ; Luo, Mingbiao ; Chi, Chaoxian ; Wang, Guanjun ; Cui, Jieming ; Zhou, Mingfei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a369t-ba6033dd87c17ab0bf1c4f07f9b7c7b7f4cd2f526079102d7761a5656290d0bd3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Anions</topic><topic>Bonding</topic><topic>Carbonyls</topic><topic>Clusters</topic><topic>Gas phases</topic><topic>Infrared</topic><topic>Photodissociation</topic><topic>Spectroscopy</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Ning</creatorcontrib><creatorcontrib>Luo, Mingbiao</creatorcontrib><creatorcontrib>Chi, Chaoxian</creatorcontrib><creatorcontrib>Wang, Guanjun</creatorcontrib><creatorcontrib>Cui, Jieming</creatorcontrib><creatorcontrib>Zhou, Mingfei</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</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><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Ning</au><au>Luo, Mingbiao</au><au>Chi, Chaoxian</au><au>Wang, Guanjun</au><au>Cui, Jieming</au><au>Zhou, Mingfei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear Iron–Copper Carbonyl Cluster Anions in the Gas Phase</atitle><jtitle>The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory</jtitle><addtitle>J. Phys. Chem. A</addtitle><date>2015-05-07</date><risdate>2015</risdate><volume>119</volume><issue>18</issue><spage>4142</spage><epage>4150</epage><pages>4142-4150</pages><issn>1089-5639</issn><eissn>1520-5215</eissn><abstract>Mass-selected heteronuclear iron–copper carbonyl cluster anions CuFe(CO) n – (n = 4–7) are studied by infrared photodissociation spectroscopy in the carbonyl stretching frequency region in the gas phase. The cluster anions are produced via a laser vaporization supersonic cluster ion source. Their geometric structures are determined by comparison of the experimental spectra with those calculated by density functional theory. The experimentally observed CuFe(CO) n – (n = 4–7) cluster anions are characterized to have (OC)4Fe–Cu(CO) n−4 structures, each involving a C 3v symmetry Fe(CO)4 – building block. Bonding analysis indicates that the Fe–Cu bond in the CuFe(CO) n – (n = 4–7) cluster anions is a σ type single bond with the iron center possessing the most favored 18-electron configuration. The results provide important new insight into the structure and bonding of hetronuclear transition metal carbonyl cluster anions.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>25871820</pmid><doi>10.1021/acs.jpca.5b02442</doi><tpages>9</tpages></addata></record> |
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subjects | Anions Bonding Carbonyls Clusters Gas phases Infrared Photodissociation Spectroscopy |
title | Infrared Photodissociation Spectroscopy of Mass-Selected Heteronuclear Iron–Copper Carbonyl Cluster Anions in the Gas Phase |
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