{"_buckets": {"deposit": "54a7bde2-b1a8-490d-9c8a-df5526e18a6c"}, "_deposit": {"created_by": 17, "id": "2002100", "owner": "17", "owners": [17], "owners_ext": {"displayname": "\u56f3\u66f8\u60c5\u5831\u4fc2", "username": "repository"}, "pid": {"revision_id": 0, "type": "depid", "value": "2002100"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:02002100", "sets": []}, "author_link": [], "control_number": "2002100", "item_1615768549627": {"attribute_name": "\u51fa\u7248\u30bf\u30a4\u30d7", "attribute_value_mlt": [{"subitem_version_resource": "http://purl.org/coar/version/c_ab4af688f83e57aa", "subitem_version_type": "AM"}]}, "item_1629683748249": {"attribute_name": "\u65e5\u4ed8", "attribute_value_mlt": [{"subitem_date_issued_datetime": "2022-07-21", "subitem_date_issued_type": "Available"}]}, "item_9_biblio_info_6": {"attribute_name": "\u66f8\u8a8c\u60c5\u5831", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2021-07-21", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "28", "bibliographicPageEnd": "10685", "bibliographicPageStart": "10676", "bibliographicVolumeNumber": "143", "bibliographic_titles": [{"bibliographic_title": "Journal of the American Chemical Society", "bibliographic_titleLang": "en"}]}]}, "item_9_description_4": {"attribute_name": "\u5185\u5bb9\u8a18\u8ff0", "attribute_value_mlt": [{"subitem_description": "Three-dimensional aromaticity arising from the close stacking of two antiaromatic \u03c0-conjugated macrocycles has recently received considerable attention. Here, a cyclophane consisting of two antiaromatic Ni(II) norcorrole units tethered with two flexible alkyl chains was synthesized. The norcorrole cyclophane showed crystal polymorphism providing three different solid-state structures. Surprisingly, one of them adopted an aligned face-to-face stacking arrangement with negligible displacement along the slipping axis. Although the exchange repulsion between two \u03c0-clouds should be maximized in this orientation, the \u03c0\u2013\u03c0 distance is remarkably close (3.258 \u00c5). Three-dimensional aromaticity in this conformation has been supported experimentally and theoretically as evidenced by small bond length alternations as well as the presence of a diatropic ring current. An analogous cyclophane with two aromatic Ni(II) porphyrin units was prepared for comparison. The porphyrin cyclophane exhibited a slipped-stacking conformation with a larger displacement (2.9 \u00c5) and a larger interplanar distance (3.402 \u00c5) without noticeable change of the aromaticity of each porphyrin unit. In solution, the norcorrole cyclophane forms a twist stacking arrangement with effective interplanar orbital overlap and exists in an equilibrium between stacked and nonstacked structures. Thermodynamic parameters of the stacking process were estimated, revealing an inherently large attractive interaction operating between two norcorrole units, which has been further supported by energy decomposition analysis.", "subitem_description_language": "en", "subitem_description_type": "Abstract"}]}, "item_9_publisher_32": {"attribute_name": "\u51fa\u7248\u8005", "attribute_value_mlt": [{"subitem_publisher": "ACS Publications", "subitem_publisher_language": "en"}]}, "item_9_relation_43": {"attribute_name": "\u95a2\u9023\u60c5\u5831", "attribute_value_mlt": [{"subitem_relation_type": "isVersionOf", "subitem_relation_type_id": {"subitem_relation_type_id_text": "https://doi.org/10.1021/jacs.1c04348", "subitem_relation_type_select": "DOI"}}]}, "item_9_rights_12": {"attribute_name": "\u6a29\u5229", "attribute_value_mlt": [{"subitem_rights": "This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Journal of the American Chemical Society], copyright \u00a9 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-8JFCVA9W9DZDM55GPQF4].\u201d", "subitem_rights_language": "en"}]}, "item_9_source_id_7": {"attribute_name": "\u53ce\u9332\u7269\u8b58\u5225\u5b50", "attribute_value_mlt": [{"subitem_source_identifier": "0002-7863", "subitem_source_identifier_type": "PISSN"}]}, "item_access_right": {"attribute_name": "\u30a2\u30af\u30bb\u30b9\u6a29", "attribute_value_mlt": [{"subitem_access_right": "embargoed access", "subitem_access_right_uri": "http://purl.org/coar/access_right/c_f1cf"}]}, "item_creator": {"attribute_name": "\u8457\u8005", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Kawashima, Hiroyuki", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Ukai, Shusaku", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Nozawa, Ryo", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Fukui, Norihito", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Fitzsimmons, Garrett", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Kowalczyk, Tim", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Fliegl, Heike", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "Shinokubo, Hiroshi", "creatorNameLang": "en"}]}]}, "item_files": {"attribute_name": "\u30d5\u30a1\u30a4\u30eb\u60c5\u5831", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2022-07-21"}], "displaytype": "detail", "download_preview_message": "Download / Preview is available from 2022/7/20.", "file_order": 0, "filename": "kawashima-cyclophane-revise-2.pdf", "filesize": [{"value": "4.5 MB"}], "format": "application/pdf", "future_date_message": "Download is available from 2022/7/20.", "is_thumbnail": false, "mimetype": "application/pdf", "size": 4500000.0, "url": {"objectType": "fulltext", "url": "https://nagoya.repo.nii.ac.jp/record/2002100/files/kawashima-cyclophane-revise-2.pdf"}, "version_id": "63ea10ff-ae63-479c-ace3-e95a64f395ac"}]}, "item_language": {"attribute_name": "\u8a00\u8a9e", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "\u8cc7\u6e90\u30bf\u30a4\u30d7", "attribute_value_mlt": [{"resourcetype": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "Determinant Factors of Three-Dimensional Aromaticity in Antiaromatic Cyclophanes", "item_titles": {"attribute_name": "\u30bf\u30a4\u30c8\u30eb", "attribute_value_mlt": [{"subitem_title": "Determinant Factors of Three-Dimensional Aromaticity in Antiaromatic Cyclophanes", "subitem_title_language": "en"}]}, "item_type_id": "40001", "owner": "17", "path": ["320/321/322"], "permalink_uri": "http://hdl.handle.net/2237/0002002100", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2022-02-14"}, "publish_date": "2022-02-14", "publish_status": "0", "recid": "2002100", "relation": {}, "relation_version_is_last": true, "title": ["Determinant Factors of Three-Dimensional Aromaticity in Antiaromatic Cyclophanes"], "weko_shared_id": -1}