C-13 NMR化学シフトの図表化-マスターチャート

• 資料種別: 記事
• タイトル: C-13 NMR化学シフトの図表化-マスターチャート
• 著者・編者: 田中 誠之 他
• 著者標目: 田中 誠之
• タイトル（掲載誌）: 分析化学 / 日本分析化学会 編
• 巻号年月日等（掲載誌）: 20(12) 1971.12
• 掲載巻: 20
• 掲載号: 12
• 掲載ページ: 1537～1542
• 掲載年月日（W3CDTF）: 1971-12
• ISSN（掲載誌）: 0525-1931
• ISSN-L（掲載誌）: 0525-1931
• 出版事項（掲載誌）: 東京 : 日本分析化学会
• 出版地（国名コード）: JP
• 本文の言語コード: jpn
• NDLC: ZP4
• 対象利用者: 一般
• 所蔵機関: 国立国会図書館
• 請求記号: Z17-9
• 連携機関・データベース: 国立国会図書館 : 国立国会図書館雑誌記事索引; https://ndlsearch.ndl.go.jp
• 書誌ID（NDLBibID）: 8443832; http://id.ndl.go.jp/bib/8443832
• 整理区分コード: 632

• 要約等: In the investigation of the molecular structure of organic compounds, carbon-13 nuclear magnetic resonance spectrometry is becoming more important in many laboratories. This method can offer directly much information about the skeletal structure of organic compounds.<BR>The authors have investigated the tables of chemical shifts for the best utilization of C-13 NMR, and it was concluded that the tables were preferable from a point of view of analytical chemistry if they consisted of a master chart which should be applied to survey roughly the chemical shift ranges of all sorts of organic substances and a series of sub-charts in each of which the shifts of a certain restricted type of compounds were tabulated in detail.<BR>In this paper, the authors presented the master chart for the elucidation of <SUP>13</SUP>C-NMR chemical shifts.<BR>The chemical shifts of <SUP>13</SUP>C-NMR were greatly influenced by adjacent functions. This influence was usually observed to reach only the second neighbouring carbons with a very few exception.<BR>This striking characteristic of <SUP>13</SUP>C-NMR brought an idea that the description of the chemical shifts of α and β carbons with the s carbon may have advantage. It might enable the analysis of the chemical structure near s carbon.<BR>The references which were cited for the tabulation of C-13 NMR chemical shifts were listed in table I. Except the data which were ascertained doubtful, nearly 3000 chemical shifts were chosen for the tabulation from the references which were published during the last 11 years. On the data which were not yet published but admitted indispensable for the tabulation, the author's experimental results were applied.<BR>Fig. 1 showed general tendency of <SUP>13</SUP>C-NMR chemical shifts. According to Fig. 1, it was observed that sp<SUP>2</SUP> carbons resonated at lower field than sp<SUP>3</SUP> and carbons which followed functions of high electronegativity resonated lower. The chemical shifts of alkanes were in the range of 150 and 185 ppm from CS<SUB>2</SUB>, alkene carbons 40 to 90 ppm, and alkyne were at the intermediate range of alkane and alkene.<BR>Carbonyl and the centered carbon of allene resonated at the lowest field of all, although there occured a case that when the chemical shifts were removed due to hydrogen bonding, carbonyl carbons resonated in the range of -30 to 35 ppm.<BR>An example of application of the master chart was presented.; 最近11年間の欧文雑誌より<SUP>13</SUP>C核磁気共鳴の化学シフトのデータを採録し,実測値を加えて約3000のデータを整理して分析化学的見地からシフトの図表化を行なった.<BR>はじめに,各官能基別のサブチャートを作成し,このサブチャートを基にして多くの化合物の適用化を考えてマスターチャートを編集した.このマスターチャートを利用することにより,<SUP>13</SUP>C核磁気共鳴測定の際のシフト範囲を決めることができる.さらに,未知化合物の同定に関して推定範囲をかなり限定でき,その解析実例も示した.
• DOI: 10.2116/bunsekikagaku.20.1537
• オンライン閲覧公開範囲: インターネット公開
• 連携機関・データベース: 科学技術振興機構 : J-STAGE; http://www.jstage.jst.go.jp

• 要約等: 最近11年間の欧文雑誌より<SUP>13</SUP>C核磁気共鳴の化学シフトのデータを採録し,実測値を加えて約3000のデータを整理して分析化学的見地からシフトの図表化を行なった.<BR>はじめに,各官能基別のサブチャートを作成し,このサブチャートを基にして多くの化合物の適用化を考えてマスターチャートを編集した.このマスターチャートを利用することにより,<SUP>13</SUP>C核磁気共鳴測定の際のシフト範囲を決めることができる.さらに,未知化合物の同定に関して推定範囲をかなり限定でき,その解析実例も示した.
• DOI: 10.2116/bunsekikagaku.20.1537; https://doi.org/10.2116/bunsekikagaku.20.1537
• オンライン閲覧公開範囲: インターネット公開
• 関連情報（URI）: http://id.ndl.go.jp/bib/8443832; https://ndlsearch.ndl.go.jp/books/R000000004-I8443832; http://www.jstage.jst.go.jp/article/bunsekikagaku1952/20/12/20_12_1537/_pdf
• 連携機関・データベース: 国立情報学研究所 : CiNii Research; https://cir.nii.ac.jp/
• 提供元機関・データベース: Japan Link Center; https://japanlinkcenter.org/top; 雑誌記事索引データベース; https://ndlsearch.ndl.go.jp; Crossref; https://www.crossref.org; CiNii Articles
• 書誌ID（NDLBibID）: 8443832; http://id.ndl.go.jp/bib/8443832
• NII論文ID: 130000942333