{"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","sets":["176:488:489","453:454"]},"item_5_biblio_info_6":{"attribute_name":"書誌情報","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":"抄録","attribute_value_mlt":[{"subitem_description":"Transition probabilities were evaluated for the X 1∑+-à  1Π system of AlNC and AlCN isomers to analyze photoabsorption and fluorescence spectra. The global potential energy surfaces (PESs) of the X 1∑+ and à 1Π (1 1A”,2 1A’) 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” and X-2 1A’ systems. Einstein's B coefficients obtained for AlNC or AlCN exhibit that the Al–N or Al–C stretching mode is strongly enhanced in the transition. The absorption and fluorescence spectra calculated for the X-1 1A” and X-2 1A’ systems are discussed comparing with the observed photoexcitation and fluorescence spectra. The lifetimes for the several vibrational levels of the à  1Π state were calculated to be ca. 7 ns for AlNC and 21–24 ns for AlCN from the fluorescence decay rates of the 1 1A”-X and 2 1A’-X emissions.","subitem_description_type":"Abstract"}]},"item_5_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"6636","nameIdentifierScheme":"WEKO"}],"names":[{"name":"徳江, 郁雄"}]}]},"item_5_publisher_7":{"attribute_name":"出版者","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":"権利","attribute_value_mlt":[{"subitem_rights":"©2006 American Institute of Physics"}]},"item_5_select_19":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_5_source_id_11":{"attribute_name":"書誌レコードID","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":"著者","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":"ファイル情報","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":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Theoretical transition probabilities for the à 1Π-X 1∑+ system of AlNC and AlCN isomers based on global potential energy surfaces","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Theoretical transition probabilities for the à 1Π-X 1∑+ system of AlNC and AlCN isomers based on global potential energy surfaces"},{"subitem_title":"Theoretical transition probabilities for the à 1Π-X 1∑+ system of AlNC and AlCN isomers based on global potential energy surfaces","subitem_title_language":"en"}]},"item_type_id":"5","owner":"1","path":["454","489"],"pubdate":{"attribute_name":"公開日","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 à 1Π-X 1∑+ system of AlNC and AlCN isomers based on global potential energy surfaces"],"weko_creator_id":"1","weko_shared_id":null},"updated":"2022-12-15T03:34:50.621318+00:00"}