91高清国产永久地址_亚洲色 欧美 日韩 在线影院_国产成人无码AⅤ片在线观看RV_婬荡乱婬AV片高潮潮喷_91桃色国产线观看免费_亚洲乱伦日韩一区_国产高清无码精品_中文字幕久久熟女蜜桃_日韩成人内射视频_可以免费看的黄色网站

Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysis

2019-04-17 21:44:03 adman 65

Gas-phase electronic and structural properties of the room temperature ionic liquid 1-ethyl-3-methylimidazolium tris(perfluoroethyl)trifluorophosphate ([EMIM][FAP]) were studied using density functional theory, and confirmed with results from infrared spectroscopy. A conformational analysis allowed the identification of several plausible conformers of the ion pairs. For the detected conformers, the infrared spectra were predicted and their thermodynamic properties were evaluated. The topology of the electronic density of the most stable conformers of [EMIM][FAP] ion pairs were characterised using the quantum theory of atoms in molecules. A number of possible hydrogen bonds between the cations and anions of the ionic liquid were identified. Excellent correspondence was found between the predicted spectra of gas-phase [EMIM][FAP] conformers and the experimental infrared spectrum, which in turn allowed a clear attribution of the vibration modes of [EMIM][FAP]. Finally, the contribution of the various conformers of both isomers of the [FAP]? anion to the ionic liquid macro-properties is shown.

默尼化工科技(上海)有限公司

致力于離子液體(ILs)研發(fā)生產(chǎn)、應(yīng)用推廣和全球銷(xiāo)售,擁有自主知識(shí)產(chǎn)權(quán)生產(chǎn)技術(shù),產(chǎn)品質(zhì)量和一致性因此得到保障,Tel:021-38228895