{"_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": ["454", "489"]}, "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\u0027s 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\u0027s 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", "download_preview_message": "", "file_order": 0, "filename": "13_0004.pdf", "filesize": [{"value": "1.2 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 1200000.0, "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"], "permalink_uri": "http://hdl.handle.net/10191/6275", "pubdate": {"attribute_name": "公開日", "attribute_value": "2008-04-23"}, "publish_date": "2008-04-23", "publish_status": "0", "recid": "2013", "relation": {}, "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_shared_id": null}