{"created":"2025-02-21T03:53:19.817036+00:00","id":2007481,"links":{},"metadata":{"_buckets":{"deposit":"5d718ef6-35c8-4650-99a8-0d8003d6e528"},"_deposit":{"created_by":41,"id":"2007481","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007481"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007481","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Structures of [(CO2)n(CH3OH)m]− (n = 1−4, m = 1, 2) Cluster Anions","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Muraoka, Azusa","creatorNameLang":"en"}],"familyNames":[{"familyName":"Muraoka","familyNameLang":"en"}],"givenNames":[{"givenName":"Azusa","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Inokuchi, Yoshiya","creatorNameLang":"en"}],"familyNames":[{"familyName":"Inokuchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Yoshiya","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Nagata, Takashi","creatorNameLang":"en"}],"familyNames":[{"familyName":"Nagata","familyNameLang":"en"}],"givenNames":[{"givenName":"Takashi","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) 2008 American Chemical Society"}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"Infrared photodissociation spectroscopy","subitem_subject_scheme":"Other"},{"subitem_subject":"hydrogen bond","subitem_subject_scheme":"Other"},{"subitem_subject":"electronic isomer","subitem_subject_scheme":"Other"},{"subitem_subject":"ab initio calculation","subitem_subject_scheme":"Other"},{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"The infrared photodissociation spectra of [(CO2)n(CH3OH)m]- (n = 1－4, m = 1, 2) are measured in the 2700－3700 cm-1 range. The observed spectra consist of an intense broad band characteristic of hydrogen-bonded OH stretching vibrations at ≈3300 cm-1 and congested vibrational bands around 2900 cm-1. No photofragment signal is observed for [(CO2)1, 2(CH3OH)1]- in the spectral range studied. Ab initio calculations are performed at the MP2/6-311++G** level to obtain structural information such as optimized structures, stabilization energies, and vibrational frequencies of [(CO2)n(CH3OH)m]-. Comparison between the experimental and theoretical results reveals the structural properties of [(CO2)n(CH3OH)m]-: (1) the incorporated CH3OH interacts directly with either CO2- or C2O4- core by forming an O－H・・・O linkage; (2) the introduction of CH3OH promotes charge localization in the clusters via the hydrogen-bond formation, resulting in the predominance of CO2-・(CH3OH)m(CO2)n-1 isomeric forms over C2O4-・(CH3OH)m(CO2)n-2; (iii) the hydroxyl group of CH3OH provides an additional solvation cite for neutral CO2 molecules.","subitem_description_language":"en"},{"subitem_description":"This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2008, available online: http://pubs.acs.org/doi/abs/10.1021/jp800289g.","subitem_description_type":"Other"},{"subitem_description":"This work was supported by Grants-in-Aid for Scientific Research (Grant Nos. 18550007 and 19029011) from Japan Society for the Promotion of Science (JSPS), and from the Ministry of Education, Culture, Sports, Science and Technology (MEXT).","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":"1089-5639","subitem_source_identifier_type":"ISSN"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"4906"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2008-06-05","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"22","bibliographicPageEnd":"4913","bibliographicPageStart":"4906","bibliographicVolumeNumber":"112","bibliographic_titles":[{"bibliographic_title":"Journal of Physical Chemistry A"},{"bibliographic_title":"Journal of Physical Chemistry A"}]}]},"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/jp800289g","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"18461917","subitem_relation_type_select":"PMID"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1021/jp800289g","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":"JPhysChemA_2008_112_4906.pdf","filesize":[{"value":"813.6 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007481/files/JPhysChemA_2008_112_4906.pdf"},"version_id":"4fd4c642-ef11-46b6-8f19-3ab3f409aba4"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"37971"},"item_title":"Structures of [(CO2)n(CH3OH)m]− (n = 1−4, m = 1, 2) Cluster Anions","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":"2007481","relation_version_is_last":true,"title":["Structures of [(CO2)n(CH3OH)m]− (n = 1−4, m = 1, 2) Cluster Anions"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T10:04:12.565378+00:00"}