{"created":"2023-05-15T14:58:34.229103+00:00","id":79463,"links":{},"metadata":{"_buckets":{"deposit":"82ab744d-404a-4f91-88df-2f40ff0ce3a1"},"_deposit":{"created_by":1,"id":"79463","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"79463"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00079463","sets":["1"]},"author_link":["1004469","1004473","1004470","1004475","1004468","1004474","1004471","1004472"],"item_8_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2020-05","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"137288","bibliographicVolumeNumber":"746","bibliographic_titles":[{"bibliographic_title":"Chemical Physics Letters"}]}]},"item_8_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We theoretically investigate a single Cl loss from the PdCl42- anion, which is a candidate for key processes in the laser-induced particle formation of Pd in aqueous/EtOH solution proposed recently by Saeki et al. (M. Saeki et al., J. Phys. Chem. C 123 (2019) 817). We calculate low-lying potential energy curves (PECs) of PdCl42- as a function of a Pd-Cl bond length with the MRCI method. It is found that PdCl42- is excited to a 1Eu state by UV irradiation, followed by a Pd-Cl bond elongation on the repulsive 21A1 and/or 21B1 PECs, leading adiabatically to the Cl- formation.","subitem_description_type":"Abstract"}]},"item_8_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier"}]},"item_8_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.cplett.2020.137288","subitem_relation_type_select":"DOI"}}]},"item_8_relation_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://www.sciencedirect.com/science/article/abs/pii/S0009261420302037","subitem_relation_type_select":"URI"}}]},"item_8_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0009-2614","subitem_source_identifier_type":"ISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"metadata only access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_14cb"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Kurosaki, Yuzuru"}],"nameIdentifiers":[{"nameIdentifier":"1004468","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nakanishi, Ryuzo"}],"nameIdentifiers":[{"nameIdentifier":"1004469","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Saeki, Morihisa"}],"nameIdentifiers":[{"nameIdentifier":"1004470","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Oba, Hironori"}],"nameIdentifiers":[{"nameIdentifier":"1004471","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yuzuru, Kurosaki","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"1004472","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ryuzo, Nakanishi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"1004473","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Morihisa, Saeki","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"1004474","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Hironori, Oba","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"1004475","nameIdentifierScheme":"WEKO"}]}]},"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":"Ab initio MRCI study on potential energy curves for a single Cl loss from the palladium tetrachloride anion PdCl42-","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Ab initio MRCI study on potential energy curves for a single Cl loss from the palladium tetrachloride anion PdCl42-"}]},"item_type_id":"8","owner":"1","path":["1"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-03-05"},"publish_date":"2020-03-05","publish_status":"0","recid":"79463","relation_version_is_last":true,"title":["Ab initio MRCI study on potential energy curves for a single Cl loss from the palladium tetrachloride anion PdCl42-"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T19:27:09.485415+00:00"}