Quantitative Characterization of Fluorine-Centered Noncovalent Interactions in Crystalline Benzanilides.

Six isomeric molecules, featuring a minimum of three fluorine atoms on either the benzoyl or aniline side, have been synthesized, crystallized and characterized through single crystal X-ray diffraction (SCXRD). In addition, two other compounds, containing six fluorine atoms, three on each of the benzoyl and aniline side of the benzanilide scaffold have also been characterized through SCXRD. This current study aims to augment the capacity for hydrogen bond formation, specifically involving organic fluorine, by elevating the acidity of the involved hydrogens through the incorporation of highly electronegative fluorine atoms, in the presence of strong N-H⋅⋅⋅O=C H-bonds.

Modulating Helix-Preference of an Axially-Twisted Molecular Scaffold Through Diastereomeric Salt Formation with Tartaric Acid Stereoisomers.

Herein, we designed a chiral, axially-twisted molecular scaffold (ATMS) using pyridine-2,6-dicarboxamide (PDC) unit as pivot, chiral trans-cyclohexanediamine (CHDA) residues as linkers, and pyrene residues as fluorescent reporters. R,R-ATMS exclusively adopted M-helicity and produced differential response in UV-vis, fluorescence, and NMR upon addition of tartaric acid (TA) stereoisomers allowing naked-eye detection and enantiomeric content determination. Circular dichroism (CD) profile of R,R-ATMS underwent unique changes during titration with TA stereoisomers - while loss of CD signal at 345 nm was observed with equimolar D-TA and meso-TA, inversion was seen with equimolar L-TA.

From liquid to crystal via mechanochemical grinding: unique host-guest (HOF) cocrystal.

Mechanochemical synthesis via grinding of trimesic acid (TA, CHO) and 4-chlorophenyl diphenyl phosphate (4CDP, CHClOP) (liquid at room temperature) in a 1:1 ratio resulted in the formation of an inclusion type of cocrystal. The crystallization of this phase via slow evaporation at low temperature (276-277 K) from methanol resulted in a rare `stairstep morphology' during the process of crystal growth. This morphology was not observed after crystallization of the compound from other solvents like toluene, dichloromethane, acetone, hexane and isooctane, and hence this was characteristically observed in methanol only.

Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.

Tetra-coordinated organoboron (TCOB) compounds are promising candidates for developing high-performance optical devices due to their excellent optoelectronic performance. Fabricating TCOB-based nanomaterials of controlled and defined morphology through rapid and easy-to-execute protocols can significantly accelerate their practical utility in the aforesaid applications. Herein, we report water-induced self-assembly (WISA) to convert a polymorphic TCOB complex (HNBI-B, derived from a 2-(2'-hydroxy-naphthyl)-benzimidazole precursor) into two unique nanomorphologies .

Nitrate and Nitrite Reductions at Copper(II) Sites: Role of Noncovalent Interactions from Second-Coordination-Sphere.

Reductions of nitrate and nitrite (NO) are of prime importance in combatting water pollution arising from the excessive use of N-rich fertilizers. While examples of NO reductions are known, this report illustrates hydrazine (NH)-mediated transformations of NO to nitric oxide (NO)/nitrous oxide (NO). For nitrate reduction to NO, initial coordination of the weakly coordinating NO anion at [()Cu] cryptate has been demonstrated to play a crucial role.

Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates.

A total of 14 compounds, one unsubstituted and 13 halogen-substituted phosphoramidates, have been synthesized from unsubstituted and halogenated (fluoro-, difluoro-, chloro-, bromo-, iodo-substituted) aniline and diphenyl phosphoryl chloride to investigate their molecular assembly in solid-state structures. Amongst them, six groups were formed based on similarities in unit-cell dimensions, space group and molecular assembly of the crystal. The analysis reveals that all the crystal structures contain robust N-H.

Interfacial Engineering of CuCoS/g-CN Hybrid Nanorods for Efficient Oxygen Evolution Reaction.

Altering the morphology of electrochemically active nanostructured materials could fundamentally influence their subsequent catalytic as well as oxygen evolution reaction (OER) performance. Enhanced OER activity for mixed-metal spinel-type sulfide (CuCoS) nanorods is generally done by blending the material that has high conductive supports together with those having a high surface volume ratio, for example, graphitic carbon nitrides (g-CN). Here, we report a noble-metal-free CuCoS nanorod-based electrocatalyst appropriate for basic OER and neutral media, through a simple one-step thermal decomposition approach from its molecular precursors pyrrolidine dithiocarbamate-copper(II), Cu[PDTC], and pyrrolidine dithiocarbamate-cobalt(II), Co[PDTC] complexes.