{"created":"2025-02-21T03:47:08.447817+00:00","id":2007278,"links":{},"metadata":{"_buckets":{"deposit":"9a0123c7-c7d2-4d9e-b59d-629af696dec3"},"_deposit":{"created_by":41,"id":"2007278","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007278"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007278","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Inner-shell excitation spectroscopy and fragmentation of small hydrogen-bonded clusters of formic acid after core excitations at the oxygen K edge","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Tabayashi, Kiyohiko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tabayashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Kiyohiko","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Yamamoto, Keisuke","creatorNameLang":"en"}],"familyNames":[{"familyName":"Yamamoto","familyNameLang":"en"}],"givenNames":[{"givenName":"Keisuke","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Takahashi, Osamu","creatorNameLang":"en"}],"familyNames":[{"familyName":"Takahashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Osamu","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tamenori, Yusuke","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tamenori","familyNameLang":"en"}],"givenNames":[{"givenName":"Yusuke","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Harries, James R.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Harries","familyNameLang":"en"}],"givenNames":[{"givenName":"James R.","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Gejo, Tatsuo","creatorNameLang":"en"}],"familyNames":[{"familyName":"Gejo","familyNameLang":"en"}],"givenNames":[{"givenName":"Tatsuo","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Iseda, Mitsuhiro","creatorNameLang":"en"}],"familyNames":[{"familyName":"Iseda","familyNameLang":"en"}],"givenNames":[{"givenName":"Mitsuhiro","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tamura, Takashi","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tamura","familyNameLang":"en"}],"givenNames":[{"givenName":"Takashi","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Honma, Kenji","creatorNameLang":"en"}],"familyNames":[{"familyName":"Honma","familyNameLang":"en"}],"givenNames":[{"givenName":"Kenji","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Suzuki, Isao H.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Suzuki","familyNameLang":"en"}],"givenNames":[{"givenName":"Isao H.","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Nagaoka, Shin-ichi","creatorNameLang":"en"}],"familyNames":[{"familyName":"Nagaoka","familyNameLang":"en"}],"givenNames":[{"givenName":"Shin-ichi","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ibuki, Toshio","creatorNameLang":"en"}],"familyNames":[{"familyName":"Ibuki","familyNameLang":"en"}],"givenNames":[{"givenName":"Toshio","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) 2006 American Institute of Physics."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"organic compounds","subitem_subject_scheme":"Other"},{"subitem_subject":"molecular clusters","subitem_subject_scheme":"Other"},{"subitem_subject":"hydrogen bonds","subitem_subject_scheme":"Other"},{"subitem_subject":"dissociation","subitem_subject_scheme":"Other"},{"subitem_subject":"time of flight mass spectra","subitem_subject_scheme":"Other"},{"subitem_subject":"spectrochemical analysis","subitem_subject_scheme":"Other"},{"subitem_subject":"chemical exchanges","subitem_subject_scheme":"Other"},{"subitem_subject":"spectral line shift","subitem_subject_scheme":"Other"},{"subitem_subject":"red shift","subitem_subject_scheme":"Other"},{"subitem_subject":"reaction kinetics","subitem_subject_scheme":"Other"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"Inner-shell excitation spectra and fragmentation of small clusters of formic acid have been studied in the oxygen K -edge region by time-of-flight fragment mass spectroscopy. In addition to several fragment cations smaller than the parent molecule, we have identified the production of HCOOH H+ and H3 O+ cations characteristic of proton transfer reactions within the clusters. Cluster-specific excitation spectra have been generated by monitoring the partial ion yields of the product cations. Resonance transitions of O1s (C==O/OH) electrons into π CO* orbital in the preedge region were found to shift in energy upon clusterization. A blueshift of the O1s (C==O) → π CO* transition by ∼0.2 eV and a redshift of the O1s (OH) → π CO* by ∼0.6 eV were observed, indicative of strong hydrogen-bond formation within the clusters. The results have been compared with a recent theoretical calculation, which supports the conclusion that the formic-acid clusters consist of the most stable cyclic dimer andor trimer units. Specifically labeled formic acid- d, HCOOD, was also used to examine the core-excited fragmentation mechanisms. These deuterium-labeled experiments showed that HD O+ was formed via site-specific migration of a formyl hydrogen within an individual molecule, and that H D2 O+ was produced via the subsequent transfer of a deuterium atom from the hydroxyl group of a nearest-neighbor molecule within a cationic cluster. Deuteron (proton) transfer from the hydroxyl site of a hydrogen-bond partner was also found to take place, producing deuteronated HCOOD D+ (protonated HCOOH H+) cations within the clusters.","subitem_description_language":"en"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"American Institute of Physics"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"AA00694991","subitem_source_identifier_type":"NCID"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"194307-1"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006-11-16","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"19","bibliographicPageEnd":"194307-10","bibliographicPageStart":"194307-1","bibliographicVolumeNumber":"125","bibliographic_titles":[{"bibliographic_title":"Journal of Chemical Physics"},{"bibliographic_title":"Journal of Chemical Physics"}]}]},"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_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1063/1.2387949","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1063/1.2387949","subitem_relation_type_select":"DOI"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2023-03-18"}],"displaytype":"simple","filename":"JChemPhys_125_194307.pdf","filesize":[{"value":"775.2 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007278/files/JChemPhys_125_194307.pdf"},"version_id":"2f35febb-5828-45f5-9f9d-daf42dc3013f"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"18825"},"item_title":"Inner-shell excitation spectroscopy and fragmentation of small hydrogen-bonded clusters of formic acid after core excitations at the oxygen K edge","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":"2007278","relation_version_is_last":true,"title":["Inner-shell excitation spectroscopy and fragmentation of small hydrogen-bonded clusters of formic acid after core excitations at the oxygen K edge"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T09:36:40.213131+00:00"}