{"created":"2021-03-01T06:05:42.105048+00:00","id":2013,"links":{},"metadata":{"_buckets":{"deposit":"1a7457fe-57e8-478a-aa6e-c8686dd1b663"},"_deposit":{"id":"2013","owners":[],"pid":{"revision_id":0,"type":"depid","value":"2013"},"status":"published"},"_oai":{"id":"oai:niigata-u.repo.nii.ac.jp:00002013"},"item_5_biblio_info_6":{"attribute_name":"\u66f8\u8a8c\u60c5\u5831","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"224301","bibliographicPageEnd":"224301-10","bibliographicPageStart":"224301-1","bibliographicVolumeNumber":"124","bibliographic_titles":[{"bibliographic_title":"Journal of Chemical Physics"},{"bibliographic_title":"Journal of Chemical Physics","bibliographic_titleLang":"en"}]}]},"item_5_description_4":{"attribute_name":"\u6284\u9332","attribute_value_mlt":[{"subitem_description":"Transition probabilities were evaluated for the X 1\u2211+-\u00c3  1\u03a0 system of AlNC and AlCN isomers to analyze photoabsorption and fluorescence spectra. The global potential energy surfaces (PESs) of the X 1\u2211+ and \u00c3 1\u03a0 (1 1A\u201d,2 1A\u2019) electronic states were determined by the multireference configuration interaction calculations with the Davidson correction. Einstein's B coefficients were computed by quantum vibrational calculations using the three-dimensional PESs of these states and the electronic transition moments for the X-1 1A\u201d and X-2 1A\u2019 systems. Einstein's B coefficients obtained for AlNC or AlCN exhibit that the Al\u2013N or Al\u2013C stretching mode is strongly enhanced in the transition. The absorption and fluorescence spectra calculated for the X-1 1A\u201d and X-2 1A\u2019 systems are discussed comparing with the observed photoexcitation and fluorescence spectra. The lifetimes for the several vibrational levels of the \u00c3  1\u03a0 state were calculated to be ca. 7 ns for AlNC and 21\u201324 ns for AlCN from the fluorescence decay rates of the 1 1A\u201d-X and 2 1A\u2019-X emissions.","subitem_description_type":"Abstract"}]},"item_5_full_name_3":{"attribute_name":"\u8457\u8005\u5225\u540d","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"6636","nameIdentifierScheme":"WEKO"}],"names":[{"name":"\u5fb3\u6c5f, \u90c1\u96c4"}]}]},"item_5_publisher_7":{"attribute_name":"\u51fa\u7248\u8005","attribute_value_mlt":[{"subitem_publisher":"American Institute of Physics"}]},"item_5_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"info:doi/10.1063/1.2207611","subitem_relation_type_select":"DOI"}}]},"item_5_rights_15":{"attribute_name":"\u6a29\u5229","attribute_value_mlt":[{"subitem_rights":"\u00a92006 American Institute of Physics"}]},"item_5_select_19":{"attribute_name":"\u8457\u8005\u7248\u30d5\u30e9\u30b0","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_5_source_id_11":{"attribute_name":"\u66f8\u8a8c\u30ec\u30b3\u30fc\u30c9ID","attribute_value_mlt":[{"subitem_source_identifier":"AA00694991","subitem_source_identifier_type":"NCID"}]},"item_5_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"00219606","subitem_source_identifier_type":"ISSN"}]},"item_creator":{"attribute_name":"\u8457\u8005","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Tokue, Ikuo"}],"nameIdentifiers":[{"nameIdentifier":"6634","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nanbu, Shinkoh"}],"nameIdentifiers":[{"nameIdentifier":"6635","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"\u30d5\u30a1\u30a4\u30eb\u60c5\u5831","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-07-29"}],"displaytype":"detail","filename":"13_0004.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"13_0004.pdf","url":"https://niigata-u.repo.nii.ac.jp/record/2013/files/13_0004.pdf"},"version_id":"3821ce85-b765-44d8-9792-2815fd7ac9f5"}]},"item_language":{"attribute_name":"\u8a00\u8a9e","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"\u8cc7\u6e90\u30bf\u30a4\u30d7","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Theoretical transition probabilities for the \u00c3 1\u03a0-X 1\u2211+ system of AlNC and AlCN isomers based on global potential energy surfaces","item_titles":{"attribute_name":"\u30bf\u30a4\u30c8\u30eb","attribute_value_mlt":[{"subitem_title":"Theoretical transition probabilities for the \u00c3 1\u03a0-X 1\u2211+ system of AlNC and AlCN isomers based on global potential energy surfaces"},{"subitem_title":"Theoretical transition probabilities for the \u00c3 1\u03a0-X 1\u2211+ system of AlNC and AlCN isomers based on global potential energy surfaces","subitem_title_language":"en"}]},"item_type_id":"5","owner":"1","path":["453/454","176/488/489"],"pubdate":{"attribute_name":"\u516c\u958b\u65e5","attribute_value":"2008-04-23"},"publish_date":"2008-04-23","publish_status":"0","recid":"2013","relation_version_is_last":true,"title":["Theoretical transition probabilities for the \u00c3 1\u03a0-X 1\u2211+ system of AlNC and AlCN isomers based on global potential energy surfaces"],"weko_creator_id":"1","weko_shared_id":null},"updated":"2021-03-01T20:47:51.091523+00:00"}