Art

J-GLOBAL ID：201602287580255529   Reference number：16A1051444

Crystal Structure of 4-Methylbenzenecarbothioic Acid and Computational Investigations of Benzenecarbochalcogenoic Acids (C₆H₅COEH and C₆H₅CEOH, E = S, Se, Te)

4-メチルベンゼンカルボチオ酸の結晶構造とベンゼンカルボカルコゲン酸(C₆H₅COEH及びC₆H₅CEOH,E=S,Se,Te)の計算機による研究

Author (7)： Kato Shinzi (Department of Applied Chemistry, School of Engineering, Chubu University) ,  Kato Shinzi (Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University) ,  Niyomura Osamu (Department of Applied Chemistry, School of Engineering, Chubu University) ,  Niyomura Osamu (Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University) ,  Ebihara Masahiro (Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University) ,  Guo Jing-Dong (Fukui Institute for Fundamental Chemistry, Kyoto University) ,  Nagase Shigeru (Fukui Institute for Fundamental Chemistry, Kyoto University)
Material： Bulletin of the Chemical Society of Japan  (Bull Chem Soc Jpn)
Volume： 89  Issue： 3  Page： 361-368(J-STAGE)  Publication year： 2016 
JST Material Number： G0450A  ISSN： 0009-2673  CODEN： BCSJA8  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *thio acid ,  *crystal structure ,  *X-ray structural analysis ,  hydrogen bond ,  dimer ,  calculation ,  *density functional method ,  Selenic Acid ,  telluric acid ,  *chalcogenide ,  solid phase ,  liquid phase ,  low temperature ,  solvent ,  solvation ,  polar solvent ,  phase (thermodynamics) ,  cyclic ether ,  aromatic carboxylic acid ,  thiocarboxylic acid
Semi thesaurus term： *カルボカルコゲン酸 ,  *カルボチオ酸 ,  density functional calculation

JST classification (3)： Aromatic monocyclic sulfonic acids,sulfinic acids,sulfenic acids  (CF05140B) ,  Aromatic monocyclic selenium and tellurium compounds  (CF05150M) ,  Crystal structure of aromatic compounds  (BK08020F)

Substance index (5)： Tetrahydrofuran ,  Thiobenzoic acid ,  4-Methylthiobenzoic acid ,  Selenobenzoic acid ,  α-Telluroxobenzenemethanol

Reference (66)：

• 1) a) O. Niyomura, S. Kato, Chalcogenocarboxylic Acid Derivatives, in Topics in Current Chemistry, ed. by S. Kato, 2005, Vol. 251, p. 1. doi:10.1007/b101005.
•  b) S. Kato, O. Niyomura, Group 1–17 Element (Except Carbon) Derivatives of Thio-, Seleno-, and Telluro-Carboxylic Acids, in Topics in Current Chemistry, ed. by S. Kato, 2005, Vol. 251, p. 13. doi:10.1007/b101006.
• 2) a) D. H. R. Barton, M. B. Hall, Z. Lin, S. I. Parekh, J. Reibenspies, J. Am. Chem. Soc. 1993, 115, 5056.
•  b) R. McDonald, M. Cowie, Inorg. Chem. 1993, 32, 1671.
•  c) M. Iwaoka, S. Tomoda, J. Am. Chem. Soc. 1996, 118, 8077.

Terms in the title (6)： 酸 ,  結晶構造 ,  Se ,  Te ,  計算機 ,  研究