{"created":"2023-06-20T13:23:20.448468+00:00","id":237,"links":{},"metadata":{"_buckets":{"deposit":"76db97fe-3044-4675-b589-6b7cf1a42052"},"_deposit":{"created_by":3,"id":"237","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"237"},"status":"published"},"_oai":{"id":"oai:kougei.repo.nii.ac.jp:00000237","sets":["12:17:50:51"]},"author_link":["53","613"],"item_2_biblio_info_12":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1994","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicPageEnd":"8","bibliographicPageStart":"1","bibliographicVolumeNumber":"17","bibliographic_titles":[{"bibliographic_title":"東京工芸大学工学部紀要"},{"bibliographic_title":"The Academic Reports, the Faculty of Engineering, Tokyo Polytechnic University","bibliographic_titleLang":"en"}]}]},"item_2_description_11":{"attribute_name":"抄録(英)","attribute_value_mlt":[{"subitem_description":"Alkali metal tetrahydroborates (MBH_4, M=Li, Na and K) and boron hydrides (BH_3,B_2H_6 and BH_4^-) have been studied by ab initio MO calculations. Geometry optimizations and frequency calculations have been performed at HF/3-21G^<**> level for MBH_4 in monodentate, bidentate and tridentate configurations. Calculated dipole moments in the tridentate configuration indicate that B-M bonds in MBH_4 are highly ionic, and the ionicity of B-M bond is related to the variation of geometrical parameters during the alkali metal substitution. Experimental B-M bond lengths and ν_4(B-M stretching) frequencies for LiBH_4 and NaBH_4 are well reproduced by MP2/6-31G^<**> calulation. Differences of B-H bond distances, B-H stretching and H-B-H bending force constants in each MBH_4 are discussed in relation to the difference of bonding environment between bridging and terminal hydrogen atoms.","subitem_description_type":"Other"}]},"item_2_description_15":{"attribute_name":"表示順","attribute_value_mlt":[{"subitem_description":"3","subitem_description_type":"Other"}]},"item_2_description_16":{"attribute_name":"アクセション番号","attribute_value_mlt":[{"subitem_description":"KJ00001512012","subitem_description_type":"Other"}]},"item_2_description_8":{"attribute_name":"記事種別(日)","attribute_value_mlt":[{"subitem_description":"論文","subitem_description_type":"Other"}]},"item_2_description_9":{"attribute_name":"記事種別(英)","attribute_value_mlt":[{"subitem_description":"Article","subitem_description_type":"Other"}]},"item_2_source_id_1":{"attribute_name":"雑誌書誌ID","attribute_value_mlt":[{"subitem_source_identifier":"AN00159741","subitem_source_identifier_type":"NCID"}]},"item_2_source_id_19":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"03876055","subitem_source_identifier_type":"ISSN"}]},"item_2_text_7":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_language":"en","subitem_text_value":"Tokyo Institute of Polytechnics"}]},"item_2_title_3":{"attribute_name":"論文名よみ","attribute_value_mlt":[{"subitem_title":"Ab Initio Calculations of Equilibrium Geometries and Vibrational Frequencies of Alkali Metal Tetrahydroborates MBH_4(M=Li, Na and K) and some Boron Hydrides (BH_3, B_2H_6 and BH_4^-)"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"植村, 允勝"},{"creatorName":"ウエムラ, マサカツ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"53","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"UEMURA, Masakatsu","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"613","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2017-04-21"}],"displaytype":"detail","filename":"KJ00001512012.pdf","filesize":[{"value":"526.8 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"KJ00001512012.pdf","url":"https://kougei.repo.nii.ac.jp/record/237/files/KJ00001512012.pdf"},"version_id":"b3b23a33-dce5-457f-af1f-18acf27b97f3"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Ab Initio Calculations of Equilibrium Geometries and Vibrational Frequencies of Alkali Metal Tetrahydroborates MBH_4(M=Li, Na and K) and some Boron Hydrides (BH_3, B_2H_6 and BH_4^-)","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Ab Initio Calculations of Equilibrium Geometries and Vibrational Frequencies of Alkali Metal Tetrahydroborates MBH_4(M=Li, Na and K) and some Boron Hydrides (BH_3, B_2H_6 and BH_4^-)","subitem_title_language":"en"}]},"item_type_id":"2","owner":"3","path":["51"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-04-21"},"publish_date":"2017-04-21","publish_status":"0","recid":"237","relation_version_is_last":true,"title":["Ab Initio Calculations of Equilibrium Geometries and Vibrational Frequencies of Alkali Metal Tetrahydroborates MBH_4(M=Li, Na and K) and some Boron Hydrides (BH_3, B_2H_6 and BH_4^-)"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-06-20T13:45:15.403904+00:00"}