Modelling room temperature ionic liquids
文献信息
B. L. Bhargava, Sundaram Balasubramanian, Michael L. Klein
Room temperature ionic liquids (IL) composed of organic cations and inorganic anions are already being utilized for wide-ranging applications in chemistry. Complementary to experiments, computational modelling has provided reliable details into the nature of their interactions. The intra- and intermolecular structures, dynamic and transport behaviour and morphologies of these novel liquids have also been explored using simulations. The current status of molecular modelling studies is presented along with the prognosis for future work in this area.
相关文献
An investigation into the effects of ink formulations of semi-solid extrusion 3D printing on the performance of printed solid dosage forms
Peter Belton, Andrew Gleadall, Richard Bibb, Sheng Qi
DOI: 10.1039/D3TB01868G
1D MnSe@carbon nanofiber as a high-rate anode for sodium-ion batteries: electrochemical and ex situ mechanistic investigation of Na+ charge storage
Elayaperumal Sujithkrishnan, Sivasubramaniam Ragul, Shamima Hussain, Villa Krishna Harika, Perumal Elumalai
DOI: 10.1039/D3NJ04735K
Green and efficient preparation and application of weakly crystalline TiO2 with high catalytic activity
Ying Feng, YongChao Zhu, Tian Chen, Pengcheng Li, Bingjie Liu, Jianfeng Cai, Wenjie Liang, Hai Xu
DOI: 10.1039/D3NJ05125K
A Ti3C2 MXene-integrated near-infrared-responsive multifunctional porous scaffold for infected bone defect repair
Linli Zhang, Hui Zhang, Hongling Zhou, Yi Tan, Zhengmin Zhang, Wei Yang, Lixing Zhao, Zhihe Zhao
DOI: 10.1039/D3TB01578E
Porphyrin and doxorubicin mediated nanoarchitectonics of copper clusters: a bimodal theranostics for cancer diagnosis and treatment in vitro
Merin Joseph, Muhammed Shafeeque Rahman Pathiripparambath, Vinoy Thomas, Hanas Tharayil, Ramapurath S Jayasree
DOI: 10.1039/D3TB02618C
Copper-decorated iron oxide nanoparticles highly dispersed on coal-based activated carbons: a recoverable catalyst for the reduction of 4-nitrophenol, Congo red, and Rhodamine B
Biao Zhang, Yakun Tang, Shasha Gao, Shan Wang, Lang Liu
DOI: 10.1039/D3NJ04349E
A low-shrinkage-stress and anti-bacterial adherent dental resin composite: physicochemical properties and biocompatibility
Shengcan Zhang, Fang Liu, Jingwei He
DOI: 10.1039/D3TB01556D
Prussian blue@Au nanoparticles/SiO2 cavity/ITO electrodes: application as a hydrogen peroxide sensor
Hongying Zhou, Yinghong Liu, Xianjiu Yu, Lei Cao, Youjie Xu, Luxin Xi, Gui Zhao
DOI: 10.1039/D3NJ04567F
Silver(i)-catalyzed stereoselective Meyer–Schuster-type rearrangement: synthesis of densely substituted α-iodo α,β-unsaturated thioesters
José L. Lopes, Lucas L. Baldassari, Diogo S. Lüdtke
DOI: 10.1039/D3NJ05144G
A robust and versatile host–guest peptide toolbox for developing highly stable and specific quantum dot-based peptide probes for imaging extracellular matrices and cells
Bo Wang, Linge Nian, Sha Zhao, Jianxi Xiao
DOI: 10.1039/D3TB02749J
您可能还喜欢
什么是5-Fluoro-4-iodo-2-methylaniline(CAS号:307306-08-7)?
5-氟-4-碘-2-甲氨基苯属于芳香族化合物,其分子式为C8H7FN2I。该化合物具有一定的反应活性,在有机合成和药物化学领域有一定的应用。
4-氟-3-硝基三氟甲苯(CAS号:367-86-2)通常如何合成?
4-氟-3-硝基三氟甲苯通常通过将三氟甲基苯在酸性条件下催化氧化为三氟甲基硝基苯,然后进行氟化反应得到目标化合物。该过程需要使用催化剂,如三氟乙酸,反应产率较高...
6-氯-9-(2,3,5-三苯甲酰氧基-2-C-甲基-beta-D-呋喃核糖基)-9H-嘌呤(CAS号:205171-05-7)的物理化学性质是什么?
该化合物为白色至类白色晶体,分子量约为1046.95。它在水中几乎不溶,在有机溶剂如乙腈和甲醇中具有一定的溶解性。该化合物具有良好的化学稳定性和生物活性。
如何储存6-氟喹啉-4-羧酸(CAS号:220844-73-5)?
6-氟喹啉-4-羧酸应储存在阴凉、干燥、通风良好的地方,避免阳光直射。储存在密闭容器中,避免与空气中的水分接触。储存温度应控制在室温以下,避免高温。
(2S,2'S,3S,3'S)-3,3'-di-tert-butyl-4,4'-bis(2,6-dimethoxyphenyl)-2,2',3,3'-tetrahydro-2,2'-bibenzo[d][1,3]oxaphosphole(CAS号:1435940-21-8)通常如何合成?
该化合物通常通过芳香族化合物的亲核取代反应合成,首先将2,6-二甲氧基苯基引入到双环结构中,然后通过特定条件下的还原或氧化反应引入二叔丁基。反应过程中使用了钯作...
如何储存KY02111(CAS号:1118807-13-8)?
KY02111应储存于阴凉、干燥、通风良好的地方,避免阳光直射和高温环境。应使用合适的密闭容器储存,并确保容器密封良好,防止水分和潮气进入。在储存期间,应注意检...
如何储存4-(4-氯苯氧基)丁酸乙酯(CAS号:59227-79-1)?
4-(4-氯苯氧基)丁酸乙酯应储存在阴凉、干燥、通风良好的地方,远离火源和热源。避免阳光直射,防止容器破裂导致泄漏。储存时应保持容器密封,避免与空气中的水蒸气接...
4-庚基苯乙酮(CAS号:37593-03-6)安全吗?
4-庚基苯乙酮相对安全,但在使用和储存时仍需注意。应避免吸入其蒸气,避免皮肤接触,使用时需佩戴防护眼镜和手套。储存时应远离火源和热源,保持容器密封,放置于阴凉、...
什么是乙基2-氨基-4-(3-溴苯基)噻吩-3-羧酸乙酯(CAS号:438218-48-5)?
乙基2-氨基-4-(3-溴苯基)噻吩-3-羧酸乙酯是一种有机化合物,分子式为C16H12BrN2O2S。它是一种含有噻吩环、氨基、溴苯基和羧酸酯结构的化合物。这...
什么是(9ci)-2-氨基-6-甲基-苯甲酰胺(CAS号:1885-31-0)?
(9ci)-2-氨基-6-甲基-苯甲酰胺是一种化学化合物,其英文名称为2-Amino-6-methylbenzamide,CAS号为1885-31-0。该化合物...
来源期刊
Chemical Communications

ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry














