By using the inverse concept of electrophilicity and nucleophilicity with four different available equations from literature for electrodonating power, values 69 commonly used arenes heteroarenes have been calculated at B3LYP/6-311+G(d,p) level theory. The linearity between Hammett sigma sigma(p) has chosen as a test to judge goodness methods used. Finally arene heteroarene series (substituted indoles, phenols, pyrroles, anisoles) subjected local analysis in order predict site selectivity...

Abstract Metal contamination from coal ashes (CAs) is widely recognized as a significant environmental concern. To learn more about metal detoxification and accumulation potential of earthworm species, metal-rich tea factory (TFCA) were fed to Eisenia fetida Lampito mauritii by employing fluorescent tag detection method. Fascinatingly, on feeding fluorescence probed Zn Cd along with cow dung , the gut-proteins molecular mass higher than 100 kDa was distinct evidence binding. Significant...

The present study addresses the challenges in catalytic transfer hydrogenation using methanol/ethanol for converting biomass-derived furanic aldehydes to furfuryl alcohols. introduction of air-stable Ru(II)-para-cymene catalysts with imidazole-based metal–ligand cooperativity represents a significant advancement. Spectroscopic, situ monitoring, labeling, and DFT investigations reveal mechanistic details, highlighting role Ru–H generation through dehydrogenation Ru(II)-alkoxide intermediates....

A major challenge in the field of dye degradation and its remediation is scarcity active catalysts that are inexpensive, easily accessible, suitable for large-scale applications, able to complete mineralization dyes. In this regard, an easy, sustainable, scalable, environmentally benign chemical method has been developed synthesize four different selective orthorhombic iron(oxalate) capped Fe, Cu, Co, Mn doped heterobimetallic oxide nanomaterials from redox reaction between [Fe(ox)–Fe(0)]...

Iron (Fe) is a vital plant-derived micronutrient in the human diet.

[Ag(COD)2]PF6 catalyzes the ring-opening of N-tosylaziridines and -azetidines with alcohols, amines, thiols, related tethered 1,2-ethane dinucleophiles. Initial rate studies DFT-based evaluation stepwise energetics suggest an inverse relationship between nucleophilic reactivity a heteroatom donor its binding affinity to cationic Ag(I).

Indeno[2,1-b]thiophene and indeno[1,2-b]indole motifs have been obtained in moderate to good yields from easily available substituted boronic acids, 2-bromo aryl/vinyl aldehydes, nucleophiles such as arenes/heteroarenes others using a catalytic combination of bimetallic "Pd–Sn" AgPF6. This formal three-component coupling involves Suzuki reaction followed by nucleophile assisted tandem ring closure. The sequential synthesis heterocycle-fused indenes, benzofluorene, fluorenes was also accomplished.

Arenes, heteroarenes, 1,3-dicarbonyls and organosilicon nucleophiles undergo highly efficient alkylation with allylic, propargylic benzylic alcohols in the presence of a new 'Pd-Sn' bimetallic catalyst nitromethane; water being sole byproduct. The plausible mechanism intermediacy ether has been enumerated.

An easy-to-synthesis chemosensor was synthesized and employed as a selective optical for fluoride through naked eye detection, which allow us to detect estimate the concentration of ion accurately up 2 μM<italic>via</italic>ratiometric responses.

An efficient, sustainable and green procedure for the synthesis of selective orthorhombic iron(oxalate) capped Fe(0) [Fe(ox)–Fe(0)] nanomaterial is developed using sodium borohydride (NaBH₄) reduction iron(<sc>ii</sc>) salt in presence oxalic acid at room temperature water.

An air- and moisture-stable (L)Ir( iii )Cp* catalyst with electron-rich pyridylidene–indole ligands enables efficient, selective transfer hydrogenation of aldehydes to alcohols using methanol at low temperatures (10–25 °C).

Catalytic hydrogenation of C=C bonds is crucial in fine chemical and pharmaceutical synthesis, yet the efficient recovery reuse homogeneous catalysts remain a challenge. Herein, we report well-defined...

A new easy-to-synthesize chemosensor, 3,3′-bis(indolyl)-4-chlorophenylmethane (hereafter S), was designed, synthesized and employed as a selective optical chemosensor for fluoride ions.1H NMR density functional studies on the system have been carried out to determine nature of interaction between S X− (X = inorganic anions) responsible significant fluoride-induced changes in absorption properties S. The experimental results reveal that abstraction an acidic proton by ion, leading formation...

The present approach for determining the electrophilicity (E) and nucleophilicity (N) of aldehydes includes a kinetic study KMNO4 oxidation NaBH4 reduction aldehydes. A transition state analysis promoted aldehyde reaction has been performed, which shows very good correlation with experimental results. validity method tested using activation parameters two reactions. utility is further demonstrated by theoretical versus relationship, provides easy access to E N values various offers an...

Catalysts consisting of metal-metal hydroxide/oxide interfaces are highly in demand for advanced catalytic applications as their multicomponent active sites will enable different reactions to occur close proximity through synergistic cooperation when a single component fails promote it. To address this, herein we disclosed simple, scalable, and affordable method synthesizing catalysts nanoscale nickel-nickel oxide-zinc oxide (Ni-NiO-ZnO) heterojunctions by combination complexation pyrolytic...

The present work reports an efficient, sustainable, and cost-effective chemical route for gram-scale synthesis of heterobimetallic Co–Mn oxide (Co2Mn3O8) from the redox reaction between in situ-generated zero-valent cobalt nanomaterial KMnO4 water. magnetically recoverable Co2Mn3O8 showed promising catalytic activity good selectivity (>99%) oxidation alcohols to aldehydes/ketones both presence air hydrogen peroxide a variety including benzyl, aliphatic, cinamyl, pyridine, thiophene moieties....

An efficient Michael addition reaction of differently substituted enones with carbon, sulfur, oxygen, and nitrogen nucleophiles has been achieved by a new heterobimetallic "Pd-Sn" catalyst system. The nature the catalytically relevant species their interactions enone moiety examined spectroscopy. effect ligand coordination mode system have investigated kinetics DFT studies. A straightforward application this methodology is shown in synthesis 1,4-oxathiepane core.

A versatile, selective, solvent (methanol vs ethanol)- and base (potassium lithium carbonate)-assisted switchable synthesis of saturated ketone α-methyl from α,β-unsaturated is developed. Mechanistic aspects, evaluated spectroscopic studies, in situ monitoring the reaction progress, control labeling further indicate involvement a tandem dehydrogenation–condensation–hydrogenation sequence reaction, which interconvertible coordination mode (imino N → Ru amido N–Ru) coordinated imidazole with...

Herein we disclosed the utilization of copper loaded zinc oxide (ZnO–Cu) for its stimuli (O2/light) responsive switchable performance between reduced (S-1) and oxidized (S-2) state two antagonistic reactions, namely oxidation alkyl arenes/heteroarenes to aldehydes/ketones reduction nitro corresponding amines. The states catalyst showed as highly active poorly reduction, both reactions could be turned "off" "on" by changing (light O2/N2). switching efficiency their relative reactivity were...

The present work reports an easy to synthesize CuII–Schiff base complex (C-2), in which tunable access of a vacant coordination site for guest metal via stereoelectronic modulation substituent is possible, might be great use the supramolecular self-aggregation process and thus utilized as metalloligand formation hetero-bimetallic CuII/HgII gel methanol. gelation property C-2 found dependent upon HgII content, initial yellow transformed into green with higher equivalent Hg(OAc)2. perceived...

Despite the inherent stability-enhancing benefits of dπ–pπ conjugation-induced aromaticity, metallaaromatic catalysts remain underutilized in this context, despite their reactivity with organic functionalities stoichiometric reactions. We present a strategy for synthesizing diverse range iridaheteroaromatics, (L^L)IrIII(Cp*)I, including iridapyridylidene-indole, iridapyridene-indole, and iridaimidazole, via situ deprotonation/metalation reactions utilizing [Cp*IrCl2]2 respective ligands....

Transition-metal-doped black titania, primarily in the anatase phase, shows promise for redox reactions, water splitting, hydrogen generation, and organic pollutant removal, but exploring other titania phases broader catalytic applications is underexplored. This study introduces a synthetic approach using Co–Ti bimetallic complex bridged by 1,10-phenanthroline-5,6-dione ligand as precursor synthesis of cobalt-doped [Co@L2N@b-TiO2]. The involves precise control pyrolysis conditions, yielding...