{"created":"2025-02-21T03:53:35.254767+00:00","id":2007490,"links":{},"metadata":{"_buckets":{"deposit":"0d9768b2-3baf-417e-a273-b841a333b5e1"},"_deposit":{"created_by":41,"id":"2007490","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007490"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007490","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5","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":"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) 2015 American Chemical Society"},{"subitem_rights":"This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpca.5b04450."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"alkaline earth","subitem_subject_scheme":"Other"},{"subitem_subject":"transition metal","subitem_subject_scheme":"Other"},{"subitem_subject":"18-crown-6","subitem_subject_scheme":"Other"},{"subitem_subject":"15-crown-5","subitem_subject_scheme":"Other"},{"subitem_subject":"encapsulation","subitem_subject_scheme":"Other"},{"subitem_subject":"water","subitem_subject_scheme":"Other"},{"subitem_subject":"crown ether","subitem_subject_scheme":"Other"},{"subitem_subject":"infrared","subitem_subject_scheme":"Other"},{"subitem_subject":"ion trap","subitem_subject_scheme":"Other"},{"subitem_subject":"electrospray","subitem_subject_scheme":"Other"},{"subitem_subject":"solvent effect","subitem_subject_scheme":"Other"},{"subitem_subject":"ultraviolet","subitem_subject_scheme":"Other"},{"subitem_subject":"conformation","subitem_subject_scheme":"Other"},{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"We measure UV photodissociation (UVPD) spectra of cold benzo-15-crown-5 (B15C5) and benzo-18-crown-6 (B18C6) complexes with divalent ions (M2+ = Ca2+, Sr2+, Ba2+, and Mn2+), solvated with an H2O or a CH3OH molecule: M2+•B15C5•H2O, M2+•B15C5•CH3OH, M2+•B18C6•H2O, and M2+•B18C6•CH3OH. All the species show a number of sharp vibronic bands in the 36600–37600 cm–1 region, which can be attributed to electronic transitions of the B18C6 or B15C5 component. Conformer-specific IR spectra of these complexes are also obtained by IR-UV double-resonance spectroscopy in the OH stretching region. All the IR-UV spectra of the H2O complexes show IR bands at ~3610 and ~3690 cm–1; these bands can be assigned to the symmetric and asymmetric OH stretching vibrations of the H2O component. The CH3OH complexes also show the stretching vibration of the OH group at ~3630 cm–1. The H2O and the CH3OH components are directly bonded to the M2+ ion through the M2+•••O bond in all the complexes, but a small difference in the conformation results in a noticeable difference in the OH stretching frequency, which enables us to determine the number of conformers. For Ca2+, Sr2+, and Mn2+, the number of conformers for the B18C6 complexes is in the range of 2–5, which is clearly larger than complexes with B15C5 (1 or 2). However for Ba2+, the number of conformers with B18C6 (1 or 2) is almost the same as that with B15C5. This is probably because the Ba2+ ion is too large to be located in the cavity center of either B15C5 and B18C6, which provides an open site at the Ba2+ ion suitable for solvation with H2O or CH3OH. The more conformations a complex can take, the more entropically favored it is at non-zero temperatures. Hence, the larger number of conformations suggests higher stability of the complexes under solvated conditions, leading to a higher degree of ion encapsulation in solution.","subitem_description_language":"en"},{"subitem_description":"This work is partly supported by the Swiss National Science Foundation through grant 200020_152804 and École Polytechnique Fédérale de Lausanne (EPFL). YI and TE thank the support from JSPS through the program “Strategic Young Researcher Overseas Visits Program for Accelerating Brain Circulation\".","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"},{"subitem_source_identifier":"1520-5215","subitem_source_identifier_type":"ISSN"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"8097"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2015-07-23","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"29","bibliographicPageEnd":"8105","bibliographicPageStart":"8097","bibliographicVolumeNumber":"119","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/acs.jpca.5b04450","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1021/acs.jpca.5b04450","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_2015_119_8097.pdf","filesize":[{"value":"2.2 MB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007490/files/JPhysChemA_2015_119_8097.pdf"},"version_id":"5a42770e-17c5-4125-ab4f-4dd1cebd5c83"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"46470"},"item_title":"Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5","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":"2007490","relation_version_is_last":true,"title":["Solvent Effects on the Encapsulation of Divalent Ions by Benzo-18-Crown-6 and Benzo-15-Crown-5"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T10:05:04.333534+00:00"}