Structure of aggregates of alcohols studied by near-infrared and NMR spectrscopic measurements

通过近红外和核磁共振光谱测量研究醇聚集体的结构

• 批准号: 04640457
• 负责人: IWAHASHI Makio
• 金额: $ 1.34万
• 依托单位: Kitasato University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for General Scientific Research (C)
• 财政年份: 1992
• 资助国家: 日本
• 起止时间: 1992 至 1993
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-04640457/
• 关键词: Hydrogen bonding; Aggregates of alcohol; NMR relaxation time; Alcohos; 1-Butanol; Near-infrared spectroscopy; Alkanes; Oleyl alcohol (cis-9-octadecen-1-ol); 近赤外分光法; オクタノール; 会合体形成; 会合数; 炭素鎖長依存性

The self-association of normal alcohols (1-butanol, 1-hexanol, and 1-octanol) and unsaturated alcohol (cis-9-octadecen-1-ol) in the pure liquid state in decane and in tetrachloride solutions has been studied by near-infrared (NIR) and NMR spectroscopic observations.The mean degree of association obtained for the normal alcohols is approximately four regardless of the hydrocarobon-chain length and inds of the solvent.The higher association number for the normal alcohols compared with that for fatty acids having the same nuber of carbon atoms as the alcohol most likely accounts for their higher viscosity and lower self-diffusion coefficient than those for the fatty acids. The association number for cis-9-octadecen-1-ol (oleyl alcohol) is less than that for normal alcohol. This is because of the steric hindrance of cis-type double bond included in its molecular structure.Almost perfect NIR band assignment in the spectrum were carried out for the series of alkanes ; the absorption band at 1450 nm for alkanes was concluded to be assigned not to CH_2 but CH groups. Relaxation-time study for NMR obviusly showed that the alcohol aggregates dissociate into monomeric molecules with an increase in temperature.

正构醇的自缔合（1-丁醇，1-己醇，和1-辛醇）和不饱和醇用近红外光谱和核磁共振谱研究了顺式-9-十八烯-1-醇在正癸烷和四氯化物溶液中的纯液体状态，得到了正构醇的平均缔合度约为4，与烃类无关。溶剂的链长和指数。与具有与醇相同碳原子数的脂肪酸相比，正常醇的缔合数较高，这很可能是其粘度高于脂肪酸和自扩散系数低于脂肪酸的原因。顺式-9-十八烯-1-醇（油醇）的缔合数小于正醇的缔合数。这是由于其分子结构中含有顺式双键的空间位阻所致，对该系列烷烃的近红外光谱进行了几乎完全的谱带归属，认为烷烃在1450 nm处的吸收带不是CH_2，而是CH基团。核磁共振弛豫时间研究表明，随着温度的升高，醇类聚集体解离成单体分子。

项目成果

M.Hato: "Monolayers of omega-Hydroxyalkyldimethyloctadecylammonium Bromide at Water-Air Interface" J.Colloid Interface Sci.161. 155-162 (1993)

M.Hato：“水-空气界面处的 omega-羟烷基二甲基十八烷基溴化铵单层”J.Colloid Interface Sci.161。

M.A.Czarnecki: "Infrared Study of Dissociation of Dimeric 9,12-Octadecadienoic Acid in Pure Liquid" Applied Spectroscopy. (in press).

M.A.Czarnecki：“纯液体中二聚 9,12-十八碳二烯酸解离的红外研究”应用光谱学。

S.R.Craig: "Using in situ Synchrotron Radiation Powder Diffraction to Characterize Growth-related Structural Polymorhic phase Transformations in cis-9-Octadecenoic Acid" J.Crystal Growth. 128. 1263-1267 (1993)

S.R.Craig：“使用原位同步辐射粉末衍射来表征顺式 9-十八碳烯酸中与生长相关的结构多态相变”J.Crystal Growth。

Makio Iwahashi: "Self-association of Octan-1-ol in the Pure Liquid State and in Decane Soln.as observed by Viscosity,Self-diffusion,NMR and NIR Spectroscopy Measurements" J.Chem.Soc.Faraday Trans.89(4). 707-712 (1993)

Makio Iwahashi：“通过粘度、自扩散、NMR 和 NIR 光谱测量观察到纯液态和癸烷溶液中 Octan-1-ol 的自缔合”J.Chem.Soc.Faraday Trans.89(4

Makio IWAHASHI: "Self-association of Octan-1-ol in the Pure Liquid State and in its Decane Solutions as observed by Viscosity,Self-diffusion,and Nuclear Magnetic Resonances and Near-infrared Spectroscopy Measure-ments" Journal of Chemical Society,Faraday

Makio IWAHASHI：“通过粘度、自扩散、核磁共振和近红外光谱测量观察纯液体状态及其癸烷溶液中 Octan-1-ol 的自缔合”化学会杂志，