{"created":"2025-02-21T03:56:29.233318+00:00","id":2007579,"links":{},"metadata":{"_buckets":{"deposit":"11103dfc-4e30-42ed-bbdb-94d983ce91d6"},"_deposit":{"created_by":41,"id":"2007579","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007579"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007579","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"UV and IR Spectroscopic Studies of Cold Alkali Metal Ion-Crown Ether Complexes in the Gas Phase","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Inokuchi, Yoshiya","creatorNameLang":"en"}],"familyNames":[{"familyName":"Inokuchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Yoshiya","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Boyarkin, Oleg V.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Boyarkin","familyNameLang":"en"}],"givenNames":[{"givenName":"Oleg V.","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Kusaka, Ryoji","creatorNameLang":"en"}],"familyNames":[{"familyName":"Kusaka","familyNameLang":"en"}],"givenNames":[{"givenName":"Ryoji","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Haino, Takeharu","creatorNameLang":"en"}],"familyNames":[{"familyName":"Haino","familyNameLang":"en"}],"givenNames":[{"givenName":"Takeharu","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ebata, Takayuki","creatorNameLang":"en"}],"familyNames":[{"familyName":"Ebata","familyNameLang":"en"}],"givenNames":[{"givenName":"Takayuki","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Rizzo, Thomas R.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Rizzo","familyNameLang":"en"}],"givenNames":[{"givenName":"Thomas R.","givenNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_1617186499011":{"attribute_name":"Rights","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2011 American Chemical Society"}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"We report UV photodissociation (UVPD) and IR-UV double-resonance spectra of dibenzo-18-crown-6 (DB18C6) complexes with alkali metal ions (Li+, Na+, K+, Rb+, and Cs+) in a cold, 22-pole ion trap. All the complexes show a number of vibronically resolved UV bands in the 36000－38000 cm-1 region. The Li+ and Na+ complexes each exhibit two stable conformations in the cold ion trap (as verified by IR-UV double-resonance), whereas the K+, Rb+, and Cs+ complexes exist in a single conformation. We analyze the structure of the conformers with the aid of density functional theory (DFT) calculations. In the Li+ and Na+ complexes, DB18C6 distorts the ether ring to fit the cavity size to the small diameter of Li+ and Na+. In the complexes with K+, Rb+, and Cs+, DB18C6 adopts a boat-type (C2v) open conformation. The K+ ion is captured in the cavity of the open conformer thanks to the optimum matching between the cavity size and the ion diameter. The Rb+ and Cs+ ions sit on top of the ether ring, because they are too large to enter the cavity of the open conformer. According to time-dependent DFT calculations, complexes that are highly distorted to hold metal ions open the ether ring upon S1－S0 excitation, and this is confirmed by extensive low-frequency progressions in the UVPD spectra.","subitem_description_language":"en"},{"subitem_description":"This is a preprint of an article published by American Chemical Society in Journal of the American Chemical Society, 2011, available online: http://pubs.acs.org/doi/abs/10.1021/ja2046205.","subitem_description_type":"Other"},{"subitem_description":"This work is supported by Grant-in-Aids (Grant No. 21350016) for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan and the Swiss National Science foundation through grant 200020_130579.","subitem_description_type":"Other"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"American Chemical Society"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"0002-7863","subitem_source_identifier_type":"ISSN"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"12256"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2011-08-10","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"31","bibliographicPageEnd":"12263","bibliographicPageStart":"12256","bibliographicVolumeNumber":"133","bibliographic_titles":[{"bibliographic_title":"Journal of the American Chemical Society"},{"bibliographic_title":"Journal of the American Chemical Society"}]}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_b1a7d7d4d402bcce","subitem_version_type":"AO"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1021/ja2046205","subitem_relation_type_select":"DOI"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1021/ja2046205","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"21728334","subitem_relation_type_select":"PMID"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2023-03-18"}],"displaytype":"simple","filename":"JAmChemSoc_2011_133_12256.pdf","filesize":[{"value":"2.5 MB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007579/files/JAmChemSoc_2011_133_12256.pdf"},"version_id":"c1d59ea7-d016-4268-bccd-78d254787fcb"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"37974"},"item_title":"UV and IR Spectroscopic Studies of Cold Alkali Metal Ion-Crown Ether Complexes in the Gas Phase","item_type_id":"40003","owner":"41","path":["1730444907710"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-03-18"},"publish_date":"2023-03-18","publish_status":"0","recid":"2007579","relation_version_is_last":true,"title":["UV and IR Spectroscopic Studies of Cold Alkali Metal Ion-Crown Ether Complexes in the Gas Phase"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T10:13:49.305313+00:00"}