{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T01:13:44Z","timestamp":1791854024095,"version":"4.3.4"},"reference-count":97,"publisher":"AIP Publishing","issue":"23","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2009,6,21]]},"abstract":"<jats:p>The crossed molecular beams reaction of ground state cyano radicals (CN) with diacetylene (HCCCCH) was studied in the laboratory under single collision conditions. Combining the derived center-of-mass translational energy and angular distributions with novel electronic structure calculations, we show that the linear cyanodiacetylene molecule (HCCCCCN) is the sole reaction product. Our study provided no substantiation of two alternative products which have been suggested previously: cyanoacetylene (HCCCN), speculated to be synthesized via the exchange of the ethynyl by the cyano group, and the 1,3-butadiynyl radical (HCCCC), thought to be formed via hydrogen abstraction. The unambiguous identification of cyanodiacetylene formed in an exoergic, barrierless bimolecular reaction of the cyano radical with diacetylene strongly suggests that cyanodiacetylene can be also synthesized via this process in the interstellar medium (cold molecular clouds) and in hydrocarbon-rich atmospheres of planets and their moons such as Titan.<\/jats:p>","DOI":"10.1063\/1.3152714","type":"journal-article","created":{"date-parts":[[2009,6,18]],"date-time":"2009-06-18T22:23:46Z","timestamp":1245363826000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":14,"title":["A crossed beams and <i>ab initio<\/i> investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene"],"prefix":"10.1063","volume":"130","author":[{"given":"Fangtong","family":"Zhang","sequence":"first","affiliation":[{"name":"University of Hawai\u2019i at Manoa 1 Department of Chemistry, , Honolulu, Hawaii 96822, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seol","family":"Kim","sequence":"additional","affiliation":[{"name":"University of Hawai\u2019i at Manoa 1 Department of Chemistry, , Honolulu, Hawaii 96822, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ralf I.","family":"Kaiser","sequence":"additional","affiliation":[{"name":"University of Hawai\u2019i at Manoa 1 Department of Chemistry, , Honolulu, Hawaii 96822, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adeel","family":"Jamal","sequence":"additional","affiliation":[{"name":"Florida International University 2 Department of Chemistry and Biochemistry, , Miami, Florida 33199, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander M.","family":"Mebel","sequence":"additional","affiliation":[{"name":"Florida International University 2 Department of Chemistry and Biochemistry, , Miami, Florida 33199, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2009,6,17]]},"reference":[{"key":"2023080106195244600_c1","volume-title":"March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure","year":"2007","edition":"6th ed."},{"key":"2023080106195244600_c2a","doi-asserted-by":"publisher","first-page":"233412","DOI":"10.1103\/PhysRevB.76.233412","volume":"76","year":"2007","journal-title":"Phys. Rev. B"},{"key":"2023080106195244600_c2b","doi-asserted-by":"publisher","first-page":"519","DOI":"10.1007\/s10904-006-9006-2","volume":"15","year":"2005","journal-title":"J. Inorg. Organomet. Polym. Mater."},{"key":"2023080106195244600_c2c","doi-asserted-by":"publisher","first-page":"549","DOI":"10.1007\/s10973-005-0821-4","volume":"81","year":"2005","journal-title":"J. Therm. Anal. Calorim."},{"key":"2023080106195244600_c3a","doi-asserted-by":"publisher","first-page":"1441","DOI":"10.1080\/00268970500070116","volume":"103","year":"2005","journal-title":"Mol. Phys."},{"key":"2023080106195244600_c3b","doi-asserted-by":"publisher","first-page":"366","DOI":"10.1039\/b711578d","volume":"10","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2023080106195244600_c3c","doi-asserted-by":"publisher","first-page":"270","DOI":"10.1016\/j.combustflame.2003.11.001","volume":"136","year":"2004","journal-title":"Combust. Flame"},{"key":"2023080106195244600_c4a","doi-asserted-by":"publisher","first-page":"2521","DOI":"10.1016\/j.carbon.2004.05.021","volume":"42","year":"2004","journal-title":"Carbon"},{"key":"2023080106195244600_c4b","doi-asserted-by":"publisher","first-page":"1149","DOI":"10.1063\/1.373790","volume":"88","year":"2000","journal-title":"J. Appl. Phys."},{"key":"2023080106195244600_c5","doi-asserted-by":"publisher","first-page":"1034","DOI":"10.1002\/anie.200502071","volume":"45","year":"2006","journal-title":"Angew. Chem., Int. Ed."},{"key":"2023080106195244600_c6","doi-asserted-by":"publisher","first-page":"153","DOI":"10.1021\/np50061a020","volume":"52","year":"1989","journal-title":"J. Nat. Prod."},{"key":"2023080106195244600_c7a","doi-asserted-by":"publisher","first-page":"159","DOI":"10.1111\/j.1751-1097.1999.tb07984.x","volume":"70","year":"1999","journal-title":"Photochem. Photobiol."},{"key":"2023080106195244600_c7b","doi-asserted-by":"publisher","first-page":"2211","DOI":"10.1023\/B:JOEC.0000006440.57230.a9","volume":"23","year":"1997","journal-title":"J. Chem. Ecol."},{"key":"2023080106195244600_c8"},{"key":"2023080106195244600_c9a","doi-asserted-by":"publisher","first-page":"1149","DOI":"10.1007\/BF00987634","volume":"7","year":"1981","journal-title":"J. Chem. Ecol."},{"key":"2023080106195244600_c9b","doi-asserted-by":"publisher","first-page":"890","DOI":"10.1126\/science.160.3830.890","volume":"160","year":"1968","journal-title":"Science"},{"key":"2023080106195244600_c10a","first-page":"233","volume":"29","year":"1980","journal-title":"Ital. J. Biochem."},{"key":"2023080106195244600_c10b","first-page":"1","volume":"18","year":"1966","journal-title":"Arch. Inst. Farmacol Exp. (Madr)"},{"key":"2023080106195244600_c11a","year":"2001"},{"key":"2023080106195244600_c11b","first-page":"682","volume":"27","year":"1999","journal-title":"Ryoikibetsu Shokogun Shirizu"},{"key":"2023080106195244600_c12a","doi-asserted-by":"publisher","first-page":"1210","DOI":"10.1021\/np970182j","volume":"60","year":"1997","journal-title":"J. Nat. Prod."},{"key":"2023080106195244600_c12b","doi-asserted-by":"publisher","first-page":"3629","DOI":"10.1021\/jf060422d","volume":"54","year":"2006","journal-title":"J. Agric. Food Chem."},{"key":"2023080106195244600_c13a","first-page":"479","volume":"62","year":"2008","journal-title":"Wiad. Chem."},{"key":"2023080106195244600_c13b","doi-asserted-by":"publisher","first-page":"237","DOI":"10.1039\/b210184j","volume":"1","year":"2003","journal-title":"Org. Biomol. Chem."},{"key":"2023080106195244600_c13c","doi-asserted-by":"publisher","first-page":"3036","DOI":"10.1002\/cber.19721050925","volume":"105","year":"1972","journal-title":"Chem. Ber."},{"key":"2023080106195244600_c14a","volume-title":"Polyynes: Synthesis, Properties, and Application","author":"Cataldo","year":"2006"},{"key":"2023080106195244600_c14b","first-page":"53","volume":"34","year":"1997","journal-title":"Eur. J. Solid State Inorg. Chem."},{"key":"2023080106195244600_c15a","doi-asserted-by":"publisher","first-page":"2163","DOI":"10.1021\/ol800583r","volume":"10","year":"2008","journal-title":"Org. Lett."},{"key":"2023080106195244600_c15b","doi-asserted-by":"publisher","first-page":"5221","DOI":"10.1016\/S0040-4020(01)88941-9","volume":"28","year":"1972","journal-title":"Tetrahedron"},{"key":"2023080106195244600_c16a","year":"2006"},{"key":"2023080106195244600_c16b","doi-asserted-by":"publisher","first-page":"10057","DOI":"10.1021\/ja035434j","volume":"125","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"2023080106195244600_c17","doi-asserted-by":"publisher","first-page":"109","DOI":"10.1016\/j.jms.2007.07.006","volume":"245","year":"2007","journal-title":"J. Mol. Spectrosc."},{"key":"2023080106195244600_c18","first-page":"L37","volume":"70","year":"1978","journal-title":"Astron. Astrophys."},{"key":"2023080106195244600_c19a","doi-asserted-by":"publisher","first-page":"L61","DOI":"10.1086\/310732","volume":"483","year":"1997","journal-title":"Astrophys. J."},{"key":"2023080106195244600_c19b","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1021\/ed067p905","volume":"67","year":"1990","journal-title":"J. Chem. Educ."},{"key":"2023080106195244600_c20","doi-asserted-by":"publisher","first-page":"L123","DOI":"10.1086\/318871","volume":"546","year":"2001","journal-title":"Astrophys. J."},{"key":"2023080106195244600_c21a","first-page":"15","volume":"315","year":"2008","journal-title":"Actual. Chim."},{"key":"2023080106195244600_c21b","doi-asserted-by":"publisher","first-page":"453","DOI":"10.1016\/S0273-1177(99)00087-3","volume":"24","year":"1999","journal-title":"Adv. Space Res."},{"key":"2023080106195244600_c22a","doi-asserted-by":"publisher","first-page":"465","DOI":"10.1086\/190963","volume":"55","year":"1984","journal-title":"Astrophys. J., Suppl. Ser."},{"key":"2023080106195244600_c22b","doi-asserted-by":"publisher","first-page":"593","DOI":"10.1016\/0032-0633(93)90079-H","volume":"41","year":"1993","journal-title":"Planet. Space Aci."},{"key":"2023080106195244600_c22c","doi-asserted-by":"publisher","first-page":"109","DOI":"10.1006\/icar.1998.5908","volume":"133","year":"1998","journal-title":"Icarus"},{"key":"2023080106195244600_c22d","doi-asserted-by":"publisher","first-page":"8201","DOI":"10.1063\/1.1803507","volume":"121","year":"2004","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c22e","doi-asserted-by":"publisher","first-page":"158","DOI":"10.1006\/icar.1996.5667","volume":"127","year":"1997","journal-title":"Icarus"},{"key":"2023080106195244600_c22f","doi-asserted-by":"publisher","first-page":"170","DOI":"10.1006\/icar.1996.5640","volume":"126","year":"1997","journal-title":"Icarus"},{"key":"2023080106195244600_c22g","doi-asserted-by":"publisher","first-page":"1291","DOI":"10.1016\/S0032-0633(99)00052-5","volume":"47","year":"1999","journal-title":"Planet. Space Sci."},{"key":"2023080106195244600_c22h","doi-asserted-by":"publisher","first-page":"L7","DOI":"10.1086\/423954","volume":"616","year":"2004","journal-title":"Astrophys. J."},{"key":"2023080106195244600_c22i","doi-asserted-by":"publisher","first-page":"382","DOI":"10.1006\/icar.2001.6720","volume":"155","year":"2002","journal-title":"Icarus"},{"key":"2023080106195244600_c23","first-page":"36","year":"2004"},{"key":"2023080106195244600_c24","first-page":"301","year":"1997"},{"key":"2023080106195244600_c25","doi-asserted-by":"publisher","first-page":"213","DOI":"10.1016\/S0019-1035(03)00125-8","volume":"164","year":"2003","journal-title":"Icarus"},{"key":"2023080106195244600_c26","doi-asserted-by":"publisher","first-page":"79","DOI":"10.1016\/S0032-0633(00)00051-9","volume":"49","year":"2001","journal-title":"Planet. Space Sci."},{"key":"2023080106195244600_c27a","doi-asserted-by":"publisher","first-page":"599","DOI":"10.1016\/0019-1035(84)90167-2","volume":"60","year":"1984","journal-title":"Icarus"},{"key":"2023080106195244600_c27b","doi-asserted-by":"publisher","first-page":"686","DOI":"10.1038\/292686a0","volume":"292","year":"1981","journal-title":"Nature (London)"},{"key":"2023080106195244600_c28a","doi-asserted-by":"publisher","first-page":"2371","DOI":"10.1021\/jp055582r","volume":"110","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"2023080106195244600_c28b","doi-asserted-by":"publisher","first-page":"8024","DOI":"10.1021\/jp803524q","volume":"112","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"2023080106195244600_c29a","doi-asserted-by":"publisher","first-page":"6","DOI":"10.1021\/ac8023922","volume":"81","year":"2009","journal-title":"Anal. Chem."},{"key":"2023080106195244600_c29b","doi-asserted-by":"publisher","first-page":"149","DOI":"10.1007\/s00897020563a","volume":"7","year":"2002","journal-title":"Chem. Educ."},{"key":"2023080106195244600_c30","doi-asserted-by":"publisher","first-page":"175","DOI":"10.1016\/0022-2852(76)90347-7","volume":"62","year":"1976","journal-title":"J. Mol. Spectrosc."},{"key":"2023080106195244600_c31a","doi-asserted-by":"crossref","first-page":"1165","DOI":"10.1139\/p94-150","volume":"72","year":"1994","journal-title":"Can. J. Phys."},{"key":"2023080106195244600_c31b","first-page":"1052","volume":"36A","year":"1981","journal-title":"Z. Naturforsch., A: Phys. Sci."},{"key":"2023080106195244600_c32a","doi-asserted-by":"publisher","first-page":"1079","DOI":"10.1016\/S1386-1425(97)00018-8","volume":"53","year":"1997","journal-title":"Spectrochim. Acta, Part A"},{"key":"2023080106195244600_c32b","doi-asserted-by":"publisher","first-page":"185","DOI":"10.1016\/j.jms.2004.11.010","volume":"230","year":"2005","journal-title":"J. Mol. Spectrosc."},{"key":"2023080106195244600_c33","doi-asserted-by":"publisher","first-page":"7224","DOI":"10.1002\/anie.200502122","volume":"44","year":"2005","journal-title":"Angew. Chem., Int. Ed."},{"key":"2023080106195244600_c34","first-page":"717","volume":"37","year":"2005","journal-title":"Bull. Am. Astron. Soc."},{"key":"2023080106195244600_c35","doi-asserted-by":"publisher","first-page":"164301","DOI":"10.1063\/1.2720842","volume":"126","year":"2007","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c36","doi-asserted-by":"publisher","first-page":"154303","DOI":"10.1063\/1.2894875","volume":"128","year":"2008","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c37","doi-asserted-by":"publisher","first-page":"3985","DOI":"10.1039\/b703402d","volume":"9","year":"2007","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2023080106195244600_c38","doi-asserted-by":"publisher","first-page":"657","DOI":"10.1016\/0009-2614(96)00697-5","volume":"258","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"2023080106195244600_c39","doi-asserted-by":"publisher","first-page":"245","DOI":"10.1039\/b516457e","volume":"133","year":"2006","journal-title":"Faraday Discuss."},{"key":"2023080106195244600_c40","doi-asserted-by":"publisher","first-page":"4185","DOI":"10.1063\/1.1150050","volume":"70","year":"1999","journal-title":"Rev. Sci. Instrum."},{"key":"2023080106195244600_c41","doi-asserted-by":"crossref","first-page":"1210","DOI":"10.1021\/jp807685v","volume":"113","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"2023080106195244600_c42","doi-asserted-by":"publisher","first-page":"134313","DOI":"10.1063\/1.2987366","volume":"129","year":"2008","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c43a","unstructured":"M.\n            Vernon\n           , Ph.D. thesis, University of California, Berkeley, 1981;"},{"key":"2023080106195244600_c43b","unstructured":"M. S.\u2008Weiss, Ph.D. thesis, University Of California, Berkeley, 1986)."},{"key":"2023080106195244600_c44a","doi-asserted-by":"publisher","first-page":"2019","DOI":"10.1063\/1.440421","volume":"73","year":"1980","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c44b","doi-asserted-by":"publisher","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","year":"1988","journal-title":"Phys. Rev. B"},{"key":"2023080106195244600_c45a","doi-asserted-by":"publisher","first-page":"1910","DOI":"10.1063\/1.443164","volume":"76","year":"1982","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c45b","doi-asserted-by":"publisher","first-page":"5968","DOI":"10.1063\/1.453520","volume":"87","year":"1987","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c45c","doi-asserted-by":"publisher","first-page":"7382","DOI":"10.1063\/1.455269","volume":"89","year":"1988","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c45d","doi-asserted-by":"publisher","first-page":"3700","DOI":"10.1063\/1.455827","volume":"90","year":"1989","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c46","doi-asserted-by":"publisher","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","year":"1989","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c47","doi-asserted-by":"publisher","first-page":"3898","DOI":"10.1021\/j100012a005","volume":"99","year":"1995","journal-title":"J. Phys. Chem."},{"key":"2023080106195244600_c48","year":"1998"},{"key":"2023080106195244600_c49","unstructured":"MOLPRO, Version 2006.1, a package of ab initio programs, written by H. -J.\u2008Werner, P. J.\u2008Knowles, R.\u2008Lindh\u2008et al., see http:\/\/www.molpro.net."},{"key":"2023080106195244600_c50a","volume-title":"Basic Chemical Kinetics","year":"1980"},{"key":"2023080106195244600_c50b","volume-title":"Unimolecular Reactions","year":"1972"},{"key":"2023080106195244600_c50c","volume-title":"Chemical Kinetics Dynamics","year":"1999","edition":"2nd ed."},{"key":"2023080106195244600_c51a","doi-asserted-by":"publisher","first-page":"7008","DOI":"10.1063\/1.1676275","volume":"120","year":"2004","journal-title":"J. Chem. Phys."},{"key":"2023080106195244600_c51b","doi-asserted-by":"publisher","first-page":"2421","DOI":"10.1021\/jp054309m","volume":"110","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"2023080106195244600_c52","volume-title":"Molecular Reaction Dynamics","year":"2005"},{"key":"2023080106195244600_c53","doi-asserted-by":"publisher","first-page":"108","DOI":"10.1039\/df9674400108","volume":"44","year":"1967","journal-title":"Discuss. Faraday Soc."},{"key":"2023080106195244600_c54","doi-asserted-by":"publisher","first-page":"245","DOI":"10.1016\/j.cplett.2006.07.041","volume":"428","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"2023080106195244600_c55a","doi-asserted-by":"publisher","first-page":"1192","DOI":"10.1039\/b313645k","volume":"6","year":"2004","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2023080106195244600_c55b","doi-asserted-by":"publisher","first-page":"10533","DOI":"10.1021\/jp035170n","volume":"107","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"2023080106195244600_c56a","doi-asserted-by":"publisher","first-page":"L199","DOI":"10.1086\/518785","volume":"661","year":"2007","journal-title":"Astrophys. J."},{"key":"2023080106195244600_c56b","doi-asserted-by":"publisher","first-page":"5349","DOI":"10.1021\/jp952787z","volume":"100","year":"1996","journal-title":"J. Phys. Chem."},{"key":"2023080106195244600_c57","unstructured":"See EPAPS Document No. E-JCPSA6-130-033924 for geometric parameters of all isomers and transition states. For more information on EPAPS, see http:\/\/www.aip.org\/pubservs\/epaps.html."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.3152714\/13130999\/234308_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.3152714\/13130999\/234308_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,1]],"date-time":"2023-08-01T06:20:17Z","timestamp":1690870817000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/130\/23\/234308\/924898\/A-crossed-beams-and-ab-initio-investigation-on-the"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,6,17]]},"references-count":97,"journal-issue":{"issue":"23","published-print":{"date-parts":[[2009,6,21]]}},"URL":"https:\/\/doi.org\/10.1063\/1.3152714","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2009,6,21]]},"published":{"date-parts":[[2009,6,17]]},"article-number":"234308"}}