The formation of a pair co-crystals based upon isosteric halogen-bond donors, namely 1,4-diiodoperchlorobenzene and iodoperchlorobenzene, along with the acceptor 4,4-bipyridine is reported. As expected, components in each co-crystal engage halogen bonding interactions resulting one-dimensional chain-like structure. In particular, containing primarily held together by I···N bonds while solid iod...

Quantum chemical calculations suggest that a series of molecules with the general formula MAu4 are stable, where M = U, Th, and a group-4 atom. They correspond to Au in the formal valence state -1 and indicate that gold can act as a ligand similar to the halogen series. Of the MAu4 species studied, UAu4, the first predicted mixed gold uranium compound, has a short M-Au bond distance, 2.71 A, wh...

The anion of the title salt, (C(10)H(10)NO)[ZnBr(2)(C(10)H(8)NO)]·CH(3)OH, has its metal atom N,O-chelated by the deprotonated 2-methyl-8-hy-droxy-quinoline ligand. The hy-droxy unit of the cation is a hydrogen-bond donor to the alkoxide O atom of the tetra-hedrally coordinated anion, whereas the ammonium cation is a hydrogen-bond donor to the methano-lic O atom. In the crystal, adjacent ion pa...

The anion of the title salt, (C(10)H(10)NO)[Zn(C(10)H(8)NO)I(2)]·CH(3)OH, has its metal atom N,O-chelated by the deprotonated 2-methyl-8-hy-droxy-quinoline ligand. The hy-droxy unit of the cation is a hydrogen-bond donor to the alkoxide O atom of the tetra-hedrally coordinated anion, whereas the ammonium cation acts as a hydrogen-bond donor to the methano-lic O atom. In the crystal, adjacent io...

Pnicogen bonding is a noncovalent interaction between the electrophilic region of a phosphorus atom and a Lewis base. Although this interaction can be comparable in strength to other noncovalent interactions, no systematic application in organic synthesis or catalysis is known so far. To identify the potential of this interaction for organocatalysis, we have now analysed different pnicogen-bond...

Objective: The aim of this study was to evaluate the effects of different curing times of a light-emitting diode (LED) on the bond strength of stainless steel brackets and to evaluate the temperature changes in the pulp chamber during curing of the composite. Materials and Method: Caries-free human first premolar and maxillary central incisor teeth extracted for orthodontic and periodontal reas...

1,2,3-Trichloropropane (TCP) is a highly toxic, recalcitrant byproduct of epichlorohydrin manufacture. Haloalkane dehalogenase (DhaA) from Rhodococcus sp. hydrolyses the carbon-halogen bond in various halogenated compounds including TCP, but with low efficiency (k (cat)/K (m )= 36 s(-1) M(-1)). A Cys176Tyr-DhaA mutant with a threefold higher catalytic efficiency for TCP dehalogenation has been ...

The interactions between the two CX3 groups in perhalogenated ethanes, X3C–CX3 are studied, with X3C–CX3 = H3C–CH3, F3C–CF3, F3C–CCl3, and Cl3C–CCl3. Utilising the recently developed method for revealing non-covalent interactions in molecular systems by Johnson et al. [1], a previously overlooked non-covalent interaction between halogens attached to opposite carbon atoms is unearthed. Further i...