Experimental Sensing and DFT Mechanism of Zn(II) Complex for Highly Sensitive and Selective Detection of Acetone

In the present work, a new Zn(II) perchlorate complex with 2,2’–bipyridyl of formulation {[Zn(bipy)2(H2O)](ClO4)2} (1) was obtained and well analyzed. This chemosensor was evaluated as a selective sensor for acetone among the several different organic solvents(CH3OH, EtOH, i–PrOH, i–BuOH, CHCl3, CH2Cl2, CCl4, C6H6, C7H8, C8H10, C2H3N, C3H7NO, C4H8O2, C3H6O3) in a fluorescence turn–off response in accordance with theoretical calculations. Sensing experiments were performed at ambient temperature which shows the acetone molecule distinctly reduces transfer of energy barrier to complex 1 and hence, produces remarkable luminescent quenching. Also, the weak intermolecular hydrogen–bonding interactions thanks to the presence of various hydrogen bonding donors and acceptors, exist between ligand molecules, which were broken during fluorescence, resulting in quenching. The stoichiometry ratio and association constant were evaluated using Benesi–Hildebrand relation giving 1:1 stoichiometry between complex 1 and acetone. Additionally, DFT results can also explicate the significant response on complex 1 upon addition of acetone. This work is vital in a new loom for the detection of acetone and other ketones.

Zn(II) Complex for Highly Sensitive and Selective Detection of Acetone at Room Temperature

A Zn(II) perchlorate complex has been prepared and characterized by single X-ray crystallography, nuclear magnetic resonance spectroscopy, thermogravimetric analysis, infrared spectroscopy, elemental analysis, and UV-vis spectroscopy. The complex crystallizes in the monoclinic space group P21/c (Z = 4) with a pentacoordinated zinc center. Interestingly, the Zn complex was found be to a potential fluorophore that could sense acetone and other ketones with high selectivity and sensitivity.

Thermal decomposition and their kinetics of mercury(ii) perchlorate complex with 4-aminopyridine and water

Copper perchlorate complex with 4-aminopyridine and water has been prepared with molecular formula [Hg2(C5H6N2)3(ClO4)4].2H2O. It has been characterised by elemental analysis, thermogravimetry, and IR spectroscopic data. Thermal behaviours have been studied by thermogravimetry (TG) in static air and simultaneous thermogravimetry-derivative thermogravimetry analysis (TG-DTG) in flowing nitrogen atmosphere. Complex decomposes in four steps (less resolved). Difference in decomposition under air and inert atmosphere has been also discussed. Kinetics of thermal decomposition has been investigated using isothermal TG data recorded at five different temperatures applying model-fitting as well as isoconversional method on these data. Model-fitting methods have yielded a single value of activation energy whereas isoconversional method has given different values of activation energy for each extent of conversion, α. Response of synthesized complex towards rapid heating has been investigated by recording explosion delay time (DE) at five different temperatures and using these data kinetics of explosion has been analysed. Activation energy for explosion has been also calculated.

Zinc(II) complexes of 3,10-C-meso-2,5,5,7,9,12,12,14- octamethyl-1,8-diaza-4,11-diazoniacyclotetradecane as its bis(acetate) trihydrate, [LBH2][CH3COO]2.3H2O: Synthesis, Characterization and antimicrobial studies

One isomeric ligand, LB among three isomers (LA, LB and LC) of 2,9- C-meso-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecanes, differing in the orientation of methyl groups on the chiral carbon atoms) on interaction with vinyl acetate produces 2,9-C-meso-2,5,5,7,9,12,12,14- octamethyl-1,8-diaza-4,11-diazoniacyclotetradecane as its bis(acetate) trihydrate, [LBH2][OOCCH3]2.3H2O. This ligand salt trihydrate reacts with Zn(CH3COO)2.2H2O to produce square pyramidal monoacetatozinc(II) acetate complex [ZnLB(CH3COO)](CH3COO), which undergoes anion exchange reaction with NaClO4.6H2O to produce monoacetatozinc(II) perchlorate complex, [ZnLB(CH3COO)](ClO4). The complex, [ZnLB(CH3COO)](ClO4) undergoes axial substitution reactions with KSCN, NaNO2 and KNO3 to form the substitution products, [ZnLB(NCS)](NCS), [ZnLB(NO2)](ClO4) and [ZnLB(NO3)](ClO4) respectively where CH3COOis replaced by NCS- , NO3 - and NO2 - . All these complexes have been characterized on the basis of analytical, spectroscopic, conductometric and magnetochemical data. The antifungal and antibacterial activities of these compounds have been studied against some phytopathogenic fungi and bacteria.