Two novel Re IV compounds of formulas [HBTA] 2 [Re IV Br 6 ] (1) and [HMEBTA] 2 [Re IV Br 6 ] (2) [BTA = 1H-benzotriazole and MEBTA = 1-(methoxymethyl)-1H-benzotriazole] have been synthesized and magnetostructurally characterized. 1 and 2 crystallize in the triclinic system with space group P1̅ . In both compounds, the rhenium ion is six-coordinate, bonded to six bromo ligands in a regular octahedral geometry. Short Re IV −Br•••Br−Re IV contacts, π−π stacking, and H-bonding interactions occur in the crystal lattice of both 1 and 2, generating novel supramolecular structures based on the Re IV . The different dispositions of the cations and the intermolecular Br•••Br contacts in 1 and 2 play an important structure−property role, with the magnetic properties of 1 and 2 revealing a significant antiferromagnetic coupling between Re IV ions through intermolecular Br•••Br interactions. In 1, these interactions account for a maximum in the magnetic susceptibility at ca. 10 K.
A new chloro-bridged heterobimetallic Cu(II)Re(IV) chain of formula {Cu(pyim)(Him)2ReCl6}n·MeCN (·MeCN) has been prepared and magnetostructurally characterised. Compound is the first example of the [Re(IV)Cl6](2-) anion acting as a metalloligand towards a paramagnetic metal ion.
The absolute configurations of the separated enantiomers of fluralaner, a racemic animal health product used to prevent fleas and ticks, have been assigned using vibrational circular dichroism (VCD). The crystallographic structure of the active enantiomer (+)-fluralaner has previously been shown to have the (S) configuration using small molecule crystallography. We sought a faster analytical method to determine the absolute configuration of the separated enantiomers. When comparing the measured IR (infrared) and VCD spectra, it is apparent that the amide carbonyl groups appear in the IR but are nearly absent in the VCD. Computational work to calculate the VCD and IR using in vacuo models, implicit solvation, and explicitly solvated complexes has implicated conformational averaging of the carbonyl VCD intensities.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.