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Ionic liquids (ILs) have attracted intensive attention in academia and industry due to their unique properties and potential applications. Nowadays, much interest is focused on finding out what is the main force that determines the properties of ionic liquids. Intuitively like NaCl, in high-temperature molten salt (HTMS) the electrostatic Coulomb force is regarded as the dominant factor that determines the behaviors of ILs. However, a large amount of evidence indicates that such a molten-salt-based simplified explanation is not consistent with the corresponding experimental results. Besides the Coulomb force, the hydrogen bond is another important noncovalent interaction in the IL and is closely related to some important properties and applications, as suggested in some new research results. Therefore in this review, we present results concerning the hydrogen bond in ILs, from the perspective of experiment and calculation, to shed light on its effects and roles. The deep insights into structure, in particular the hydrogen bonds, can provide us with a rational design for the new ILs to fulfill the demands in some complicated chemical processes.

The allyl anion [C 3 H 5 ] - is often found in combination with other ligands in organometallic complexes. Compounds in which allyl groups are the only or principal type of ligand, however, are often coordinatively unsaturated and prone to decomposition. It is possible to increase the thermal and sometimes oxidative stability of such complexes by adding sterically bulky substituents (e.g., -SiMe 3 ) to the allyl group. Main group, transition metal, and f-element compounds constructed with bulky allyl ligands display a wide range of monomeric, oligomeric, and polymeric structures. Some of these complexes have no counterparts with unsubstituted allyl groups, and others are active polymerization catalysts. Research in this area has served to expand the range of structural types and bonding that can be incorporated into metal allyl chemistry.

Bulky terphenyl carboxylates and related benzyl-substituted benzoates have been used to assemble a variety of new diiron complexes analogous to nonheme diiron protein active sites. Through this conceptually simple approach, novel biomimetic structures have been accessed and biologically relevant oxidized intermediates and products have been isolated and characterized by both spectroscopic and X-ray crystallographic methods. Interesting similarities and differences in the observed chemistry of the iron(II) complexes, including ligand substitution and dioxygen activation reactions, result from variation of the specific carboxylate and accompanying N-donor ligand structures. As a result, new insights have been obtained into structure/function relationships in carboxylate-rich nonheme diiron proteins.

In view of the worldwide spread of multidrug resistance of Mycobacterium tuberculosis, there is an urgent need to discover antitubercular agents with novel structures. Thymidine monophosphate kinase from M. tuberculosis (TMPKmt) is an attractive target for antitubercular chemotherapy. We report here the identification of potent antitubercular compounds targeting TMPKmt using virtual screening methods. For this purpose we have developed a pharmacophore hypothesis based on the substrate and known TMPKmt inhibitors and employed it to screen the Maybridge small molecule database. The molecular docking was then performed in order to select the compounds on the basis of their ability to form favorable interactions with the TMPKmt active site. In addition, we applied straightforward weighting using structure interaction fingerprints to include additional knowledge into structure based virtual screening. Eight compounds were acquired and evaluated for antitubercular activity against M. tuberculosis H37Rv in vitro...

Tube C60H60 (5) with fused five-membered rings is more stable than the cage isomer (1) with isolated five-membered rings. Introduction of endo C−H bonds into structure 5 results in further stabiliz...