{"created":"2025-02-21T03:53:24.020835+00:00","id":2007484,"links":{},"metadata":{"_buckets":{"deposit":"424b34a2-afba-4e6c-b1c1-b73c62441df8"},"_deposit":{"created_by":41,"id":"2007484","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007484"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007484","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Formation of Semi-Covalent Bond in [(N2O)nH2O]+ (n = 2-7) Cluster Ions Studied by IR Spectroscopy","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Matsushima, Ryoko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Matsushima","familyNameLang":"en"}],"givenNames":[{"givenName":"Ryoko","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ebata, Takayuki","creatorNameLang":"en"}],"familyNames":[{"familyName":"Ebata","familyNameLang":"en"}],"givenNames":[{"givenName":"Takayuki","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Inokuchi, Yoshiya","creatorNameLang":"en"}],"familyNames":[{"familyName":"Inokuchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Yoshiya","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) 2010 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":"IR photodissociation (IRPD) spectra of [(N2O)nH2O]+ with n = 2－7 are measured in the 1100－3800 cm-1 region. In parallel, the geometry optimization and the vibrational analysis are carried out at the B3LYP/6-311++G(d,p) level of theory. In the OH stretching (2400－3800 cm-1) region, the IRPD spectrum of the [(N2O)2H2O]+ ion shows a sharp band at 3452 cm-1 and a broad one at around 2700 cm-1, which are assignable to the stretching vibrations of the free and hydrogen-bonded OH groups, respectively. The IRPD spectra of the [(N2O)nH2O]+ (n = 3－7) ions show no band of the free OH stretching vibration, indicating that both of the OH groups are hydrogen-bonded to solvent N2O molecules. The IRPD spectra of the n = 2－7 ions also show the ν1 and ν3 vibrations of the N2O components at around 1250 and 2200 cm-1, respectively. Comparison of the IRPD spectra with the calculated IR spectra suggests that the [(N2O)nH2O]+ cluster ions have an (N2O･H2O)+ ion core, in which the positive charge is delocalized over the H2O and N2O components, and that an intermolecular semi-covalent bond is formed between the oxygen atoms of H2O and N2O through the charge resonance interaction.","subitem_description_language":"en"},{"subitem_description":"This is a preprint of an article published by American Chemical Society in Journal of Physical Chemistry A, 2010, available online: http://pubs.acs.org/doi/abs/10.1021/jp100336h.","subitem_description_type":"Other"},{"subitem_description":"This work is supported by Grant-in-Aids (Grant Nos. 18205003 and 21350016) for Scientific Research 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":"11037"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2010-10-28","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"42","bibliographicPageEnd":"11042","bibliographicPageStart":"11037","bibliographicVolumeNumber":"114","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/jp100336h","subitem_relation_type_select":"DOI"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1021/jp100336h","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"20364853","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":"JPhysChemA_2010_114_11037.pdf","filesize":[{"value":"1.4 MB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007484/files/JPhysChemA_2010_114_11037.pdf"},"version_id":"7cf07b58-2a16-4d74-9d71-8e59ae44c8b2"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"37973"},"item_title":"Formation of Semi-Covalent Bond in [(N2O)nH2O]+ (n = 2-7) Cluster Ions Studied by IR Spectroscopy","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":"2007484","relation_version_is_last":true,"title":["Formation of Semi-Covalent Bond in [(N2O)nH2O]+ (n = 2-7) Cluster Ions Studied by IR Spectroscopy"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T10:04:29.150315+00:00"}