Art

J-GLOBAL ID：200902202407428203   Reference number：09A0217875

Roles of the Ether Oxygen in Hydration of Tetrahydrofuran Studied by IR, NMR, and DFT Calculation Methods

IR,NMR及びDFT計算法によって調べたテトラヒドロフランの水和におけるエーテル酸素の役割

Author (9)： MIZUNO Kazuko (Univ. Fukui, Fukui, JPN) ,  MASUDA Yohko (Univ. Fukui, Fukui, JPN) ,  YAMAMURA Takuya (Univ. Fukui, Fukui, JPN) ,  KITAMURA Junya (Univ. Fukui, Fukui, JPN) ,  OGATA Hiroshi (Univ. Fukui, Fukui, JPN) ,  BAKO Imre (Chemical Res. Center, Hungarian Acad. Sci., Budapest, HUN) ,  TAMAI Yoshinori (Univ. Fukui, Fukui, JPN) ,  YAGASAKI Takuma (Univ. Fukui, Fukui, JPN) ,  YAGASAKI Takuma (Inst. Molecular Sci., Okazaki, JPN)
Material： Journal of Physical Chemistry B  (Journal of Physical Chemistry B. Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter)
Volume： 113  Issue： 4  Page： 906-915  Publication year： Jan. 29, 2009 
JST Material Number： W0921A  ISSN： 1520-6106  CODEN： JPCBFK  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Thesaurus term： *cyclic ether ,  Water ,  *hydration ,  hydrate ,  *complex formation ,  hydrogen bond ,  *hydrogen-bonded complex ,  mole fraction ,  concentration dependence ,  structural optimization ,  water molecule ,  stoichiometry ,  association equilibrium ,  vibration analysis ,  infrared absorption spectrum ,  proton magnetic resonance ,  13C NMR ,  coupling constant ,  blue shift ,  spectral simulation ,  MP2 method ,  density functional method ,  basis set ,  electronic effect ,  stereospecific reaction ,  hydrophobic ,  nonpolar molecule ,  two-component system ,  mixed liquid ,  dimer ,  shape optimization ,  ab initio molecular orbital method ,  stereo-electronic effect ,  modification ,  computer application ,  utilization

JST classification (2)： Molecular compounds  (CE02000C) ,  Infrared spectra,Raman scattering and Raman spectra of complex  (BM08065K)

Substance index (1)： Tetrahydrofuran

Terms in the title (8)： Ir ,  NMR ,  DFT計算 ,  テトラヒドロフラン ,  水和 ,  エーテル ,  酸素 ,  役割