{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T07:44:37Z","timestamp":1747295077229},"reference-count":43,"publisher":"AIP Publishing","issue":"24","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2004,12,22]]},"abstract":"<jats:p>Irradiation of an Ar matrix sample containing O3 and CS2 with a KrF excimer laser at 248 nm yielded new lines at 1402.1 (1404.7), 1056.2 (1052.7), and 622.3 (620.5) cm\u22121; numbers in parentheses correspond to species in a minor matrix site. Secondary photolysis at 308 nm diminished these lines and produced mainly OCS and SO2. Annealing of this matrix to 30 K yielded a second set of new lines at 1824.7 and 617.8 cm\u22121. The first set of lines are assigned to C=S stretching, O\u2013S stretching, and S\u2013C stretching modes of carbon disulfide S-oxide, OSCS; and the second set of lines are assigned to C=O stretching and OCS bending modes of dithiiranone, O(CS2), respectively, based on results of S34- and O18-isotopic experiments and quantum-chemical calculations. These calculations using density-functional theory (B3LYP\/aug-cc-pVTZ) predict four stable isomers of OCS2:\u2008O(CS2), SSCO, OSCS, and SOCS, listed in order of increasing energy. According to calculations, O(CS2) has a cyclic CS2 moiety and is the most stable isomer of OCS2. OSCS is planar, with bond angles \u2220OSC\u2245111.9\u00b0 and \u2220SCS\u2245177.3\u00b0; it is less stable than SSCO and O(CS2) by \u223c102 and 154 kJ\u200amol\u22121, respectively, and more stable than SOCS by \u223c26 kJ\u200amol\u22121. Calculated vibrational wave numbers, IR intensities, S34- and O18-isotopic shifts for OSCS and O(CS2) fit satisfactorily with experimental results.<\/jats:p>","DOI":"10.1063\/1.1822919","type":"journal-article","created":{"date-parts":[[2004,12,15]],"date-time":"2004-12-15T13:48:10Z","timestamp":1103118490000},"page":"12371-12378","update-policy":"http:\/\/dx.doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":13,"title":["Isomers of OCS2: IR absorption spectra of OSCS and O(CS2) in solid Ar"],"prefix":"10.1063","volume":"121","author":[{"given":"Wen-Jui","family":"Lo","sequence":"first","affiliation":[{"name":"Department of Nursing, Tzu Chi College of Technology, 880, Sec. 2, Chien Kuo Road, Hualien\u2009970, Taiwan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hui-Fen","family":"Chen","sequence":"additional","affiliation":[{"name":"Department of Chemistry, National Tsing Hua University, 101, Sec. 2, Kuang Fu Road, Hsinchu\u200930013, Taiwan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Po-Han","family":"Chou","sequence":"additional","affiliation":[{"name":"Department of Chemistry, National Tsing Hua University, 101, Sec. 2, Kuang Fu Road, Hsinchu\u200930013, Taiwan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yuan-Pern","family":"Lee","sequence":"additional","affiliation":[{"name":"Department of Applied Chemistry and Institute of Molecular Sciences, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu\u200930010, Taiwan,"},{"name":"Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","reference":[{"key":"2024020523544222400_r1","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1007\/BF00113980","volume":"1","year":"1983","journal-title":"J. Atmos. Chem."},{"key":"2024020523544222400_r2","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1023\/A:1025125630163","volume":"44","year":"2003","journal-title":"Kinet. Catalysis"},{"key":"2024020523544222400_r3"},{"key":"2024020523544222400_r4","volume":"9","year":"1998","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"2024020523544222400_r5","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1063\/1.1682227","volume":"61","year":"1974","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r6","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1080\/00268977900100301","volume":"37","year":"1979","journal-title":"Mol. Phys."},{"key":"2024020523544222400_r7","doi-asserted-by":"crossref","first-page":"2586","DOI":"10.1039\/TF9716702586","volume":"67","year":"1971","journal-title":"Trans. Faraday Soc."},{"key":"2024020523544222400_r8","doi-asserted-by":"crossref","first-page":"1022","DOI":"10.1063\/1.1661212","volume":"43","year":"1972","journal-title":"J. Appl. Phys."},{"key":"2024020523544222400_r9","doi-asserted-by":"crossref","first-page":"704","DOI":"10.1063\/1.1681949","volume":"61","year":"1974","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r10","doi-asserted-by":"crossref","first-page":"5405","DOI":"10.1021\/j100192a041","volume":"96","year":"1992","journal-title":"J. Phys. Chem."},{"key":"2024020523544222400_r11","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/0301-0104(79)80114-7","volume":"44","year":"1979","journal-title":"Chem. Phys."},{"key":"2024020523544222400_r12","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1063\/1.1754573","volume":"8","year":"1966","journal-title":"Appl. Phys. Lett."},{"key":"2024020523544222400_r13","doi-asserted-by":"crossref","first-page":"5566","DOI":"10.1063\/1.464903","volume":"98","year":"1993","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r14","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1021\/j100627a008","volume":"77","year":"1973","journal-title":"J. Phys. Chem."},{"key":"2024020523544222400_r15","doi-asserted-by":"crossref","first-page":"2814","DOI":"10.1021\/j100160a034","volume":"95","year":"1991","journal-title":"J. Phys. Chem."},{"key":"2024020523544222400_r16","doi-asserted-by":"crossref","first-page":"5494","DOI":"10.1063\/1.467338","volume":"101","year":"1994","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r17","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1016\/0009-2614(94)01077-3","volume":"229","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"2024020523544222400_r18","doi-asserted-by":"crossref","first-page":"5745","DOI":"10.1063\/1.471335","volume":"104","year":"1996","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r19","doi-asserted-by":"crossref","first-page":"9454","DOI":"10.1063\/1.472779","volume":"105","year":"1996","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r20","doi-asserted-by":"crossref","first-page":"661","DOI":"10.1021\/ja991926d","volume":"122","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"2024020523544222400_r21","doi-asserted-by":"crossref","first-page":"3613","DOI":"10.1021\/jp993792w","volume":"104","year":"2000","journal-title":"J. Phys. Chem. A"},{"key":"2024020523544222400_r22","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/S0009-2614(01)00112-9","volume":"336","year":"2001","journal-title":"Chem. Phys. Lett."},{"key":"2024020523544222400_r23","doi-asserted-by":"crossref","first-page":"10694","DOI":"10.1063\/1.1418253","volume":"115","year":"2001","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r24","doi-asserted-by":"crossref","first-page":"6655","DOI":"10.1063\/1.1506155","volume":"117","year":"2002","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r25","doi-asserted-by":"crossref","first-page":"6944","DOI":"10.1021\/jp034563j","volume":"107","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"2024020523544222400_r26","doi-asserted-by":"crossref","first-page":"5717","DOI":"10.1063\/1.1648634","volume":"120","year":"2004","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r27"},{"key":"2024020523544222400_r28","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","year":"1993","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r29","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","year":"1988","journal-title":"Phys. Rev. B"},{"key":"2024020523544222400_r30","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1016\/0009-2614(89)87234-3","volume":"157","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"2024020523544222400_r31","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1016\/0301-0104(93)80126-T","volume":"172","year":"1993","journal-title":"Chem. Phys."},{"key":"2024020523544222400_r32","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/0301-0104(86)87046-X","volume":"106","year":"1986","journal-title":"Chem. Phys."},{"key":"2024020523544222400_r33","first-page":"1523","volume":"31A","year":"1975","journal-title":"Spectrochim. Acta, Part A"},{"key":"2024020523544222400_r34","doi-asserted-by":"crossref","first-page":"6452","DOI":"10.1021\/ja00042a024","volume":"114","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"2024020523544222400_r35","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/0022-2852(75)90162-9","volume":"58","year":"1975","journal-title":"J. Mol. Spectrosc."},{"key":"2024020523544222400_r36","doi-asserted-by":"crossref","first-page":"1849","DOI":"10.1021\/j100584a018","volume":"79","year":"1975","journal-title":"J. Phys. Chem."},{"key":"2024020523544222400_r37","doi-asserted-by":"crossref","first-page":"2511","DOI":"10.1063\/1.430738","volume":"62","year":"1975","journal-title":"J. Chem. Phys."},{"key":"2024020523544222400_r38","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/0022-2852(85)90308-X","volume":"109","year":"1985","journal-title":"J. Mol. 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