{"created":"2023-05-15T16:49:02.217057+00:00","id":26304,"links":{},"metadata":{"_buckets":{"deposit":"f94cba36-5d64-484e-9450-248e7456b149"},"_deposit":{"created_by":6,"id":"26304","owners":[6],"pid":{"revision_id":0,"type":"depid","value":"26304"},"status":"published"},"_oai":{"id":"oai:nagasaki-u.repo.nii.ac.jp:00026304","sets":["14:21"]},"author_link":["117046","117044","117045"],"item_2_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2021-01-10","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"113140","bibliographicVolumeNumber":"409","bibliographic_titles":[{"bibliographic_title":"Journal of Photochemistry and Photobiology A: Chemistry"}]}]},"item_2_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The three newly synthesized imidazopyridine derivatives bearing inter/intramolecular hydrogen bond were computationally investigated. The quasi stable seven-membered ring systems of the compounds assisted by the intramolecular hydrogen bond exhibited distinct luminescence depending on the surrounding media; in solution, in frozen solution and in solid state. The interesting luminescent properties were studied by means of a series of quantum chemical calculations; i.e., DFT, TDDFT,CASSCF/CASPT2, ADC(2), CC2 and CCSD(T). The stability of the quasi π-conjugated rings was found to be regulated by the delicate balance between intramolecular steric hindrance and intra/intermolecular hydrogen bond strength.The excited state dynamics was explored by the surface hopping trajectory calculations which reproduced the ESIPT process in the first excited singlet state.","subitem_description_type":"Abstract"}]},"item_2_description_63":{"attribute_name":"引用","attribute_value_mlt":[{"subitem_description":"Journal of Photochemistry and Photobiology A: Chemistry, 409, art.no.113140; 2021","subitem_description_type":"Other"}]},"item_2_publisher_33":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier B.V."}]},"item_2_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.jphotochem.2021.113140","subitem_relation_type_select":"DOI"}}]},"item_2_rights_13":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2021 Elsevier B.V. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/"}]},"item_2_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"10106030","subitem_source_identifier_type":"ISSN"}]},"item_2_version_type_16":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Shigemitsu, Yasuhiro"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Muramatsu, Tatsuya"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Mutai, Toshiki"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2023-01-10"}],"displaytype":"detail","filename":"JPPA409_113140.pdf","filesize":[{"value":"1.8 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"JPPA409_113140.pdf","url":"https://nagasaki-u.repo.nii.ac.jp/record/26304/files/JPPA409_113140.pdf"},"version_id":"33aaca75-b003-4b6a-8782-4c6c7a661177"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"ESIPT luminescence","subitem_subject_scheme":"Other"},{"subitem_subject":"intramolecular hydrogen bond","subitem_subject_scheme":"Other"},{"subitem_subject":"seven-membered imidazopyridines","subitem_subject_scheme":"Other"}]},"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":"Computational Investigation on ESIPT-driven Luminescence of Imidazo[1,2-a]pyridine Derivatives Regulated by Inter/Intramolecular Hydrogen bonding","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Computational Investigation on ESIPT-driven Luminescence of Imidazo[1,2-a]pyridine Derivatives Regulated by Inter/Intramolecular Hydrogen bonding"}]},"item_type_id":"2","owner":"6","path":["21"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-02-08"},"publish_date":"2020-02-08","publish_status":"0","recid":"26304","relation_version_is_last":true,"title":["Computational Investigation on ESIPT-driven Luminescence of Imidazo[1,2-a]pyridine Derivatives Regulated by Inter/Intramolecular Hydrogen bonding"],"weko_creator_id":"6","weko_shared_id":-1},"updated":"2023-05-15T20:37:35.846539+00:00"}