{"created":"2021-03-01T06:05:42.230894+00:00","id":2015,"links":{},"metadata":{"_buckets":{"deposit":"74f204ef-4d86-48fe-93a8-a5712f77f5b1"},"_deposit":{"id":"2015","owners":[],"pid":{"revision_id":0,"type":"depid","value":"2015"},"status":"published"},"_oai":{"id":"oai:niigata-u.repo.nii.ac.jp:00002015"},"item_5_biblio_info_6":{"attribute_name":"\u66f8\u8a8c\u60c5\u5831","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2005","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"144307","bibliographicPageEnd":"144307-10","bibliographicPageStart":"144307-1","bibliographicVolumeNumber":"122","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 1A1-\u00c3 1B1 and \u00c3 1B1-B 1A1 systems of SiH2 and SiD2 to analyze the X\u2192\u00c3\u2192B photoexcitation. The Franck\u2013Condon factors (FCFs) and Einstein's B coefficients were computed by quantum vibrational calculations using the three-dimensional potential energy surfaces (PESs) of the SiH2(X1A1,\u00c31B1,B1A1) electronic states and the electronic transition moments for the X-\u00c3, X-B, and \u00c3-B system. The global PESs were determined by the multireference configuration interaction calculations with the Davidson correction and the interpolant moving least-squares method combined with the Shepard interpolation. The obtained FCFs for the X-\u00c3 and \u00c3-B systems exhibit that the bending mode is strongly enhanced in the excitation since the equilibrium bond angle greatly varies with the three states; the barrier to linearity is evaluated to be 21 900 cm\u20131 for the X state, 6400 cm\u20131 for the \u00c3 state, and 230\u2013240 cm\u20131 for the B state. The theoretical lifetimes for the pure bending levels of the \u00c3 and B states were calculated from the fluorescence decay rates for the \u00c3-X, B-\u00c3, and B-X emissions.","subitem_description_type":"Abstract"}]},"item_5_full_name_3":{"attribute_name":"\u8457\u8005\u5225\u540d","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"6644","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/10.1063/1.1876112","subitem_relation_type_select":"DOI"}}]},"item_5_rights_15":{"attribute_name":"\u6a29\u5229","attribute_value_mlt":[{"subitem_rights":"\u00a92005 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":"6641","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yamasaki, Katsuyoshi"}],"nameIdentifiers":[{"nameIdentifier":"6642","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nanbu, Shinkoh"}],"nameIdentifiers":[{"nameIdentifier":"6643","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_0006.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"13_0006.pdf","url":"https://niigata-u.repo.nii.ac.jp/record/2015/files/13_0006.pdf"},"version_id":"7b6261a3-0127-4753-ac82-7a9ac12d7420"}]},"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":"Vibrational energies for the X 1A1, \u00c3 1B1, and B 1A1 states of SiH2/SiD2 and related transition probabilities based on global potential energy surfaces","item_titles":{"attribute_name":"\u30bf\u30a4\u30c8\u30eb","attribute_value_mlt":[{"subitem_title":"Vibrational energies for the X 1A1, \u00c3 1B1, and B 1A1 states of SiH2/SiD2 and related transition probabilities based on global potential energy surfaces"},{"subitem_title":"Vibrational energies for the X 1A1, \u00c3 1B1, and B 1A1 states of SiH2/SiD2 and related transition probabilities 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":"2015","relation_version_is_last":true,"title":["Vibrational energies for the X 1A1, \u00c3 1B1, and B 1A1 states of SiH2/SiD2 and related transition probabilities based on global potential energy surfaces"],"weko_creator_id":"1","weko_shared_id":null},"updated":"2021-03-01T20:47:48.763835+00:00"}