Sodium ion impregnated anatase/rutile mixed phase TiO2 material has been synthesised by sol-gel method and characterised for understanding the solar hydrogen production activities. The presence of sodium ion can influence the crystallinity, crystallite size and photocatalytic efficiency of mixed phase TiO2. The hydrogen evolution activities of the sodium impregnated TiO2 and bare TiO2 materials are

DFT calculations using the WB97XD and CAM-B3LYP functional and the basis set 6-31G(d,p) have been performed to study the interaction between the X2(X=F or Cl) molecule and boron nitrogen nanotubes (BNNTs). Each molecule is confined within BNNTs with different dimensions in either parallel or perpendicular positions along the nanotube axis. The interaction between X2 molecule and BNNT nanotube differed

The spectroscopic and electronic characterization of the molecule Linagliptin (LGP), one of the most important type-2 diabetes drugs, has been studied by the quantum mechanical method. The optimized molecular structure, electronic properties, dipole moment, rotational constants and important thermodynamic parameters of LGP molecule have been computed using HF (Hartree-Fock) and DFT (density functional

The interactions of diglycine with sulphathiazole drug as a function of temperatures have been studied using volumetric and acoustic parameters. Densities and speeds of sound of diglycine in (0.001, 0.002, 0.005 and 0.010) mol·kg-1 aqueous solutions of sulphathiazole drug have been measured at five different temperatures of (288.15, 293.15, 298.15, 303.15 and 308.15) K under 0.1 MPa pressure. From

In this study, we have developed a novel biomimetic electrochemical sensor sensitized with functionalized carbon nanotubes using a molecularly imprinted film as a recognition element for the rapid detection of uric acid. Using K3[Fe(CN)6] as a probe, uric acid imprinted films on electrodes are characterized by voltammetry measurements and electrochemical impedance spectroscopy. The optimizations of

2-(4-Ethoxyphenyl)isoindoline-1,3-dione molecule has been characterized by experimental FT-IR and UV-visible spectroscopic methods. Density fuctional theory calculations of the molecular structure and vibrational spectra have been performed using the B3LYP/6-311++G(d,p) level of theory for the 2-(4-ethoxyphenyl)isoindoline-1,3-dione. The theoretical results are compared with the experimental observations

In the present investigation, we undertake the study of molecular interaction in a ternary mixture of cyclohexylamine (CHA), ethanol (Eth) and benzene (B) theoretically as well as experimentally. We study the interaction between CHA dimer and complexes (Eth-CHA, B-CHA, CHA-Eth-B) theoretically using DFT (Density functional theory) in gas phase. It includes the quantum chemical calculations of interaction

Hantzsch synthesis of 1,4-dihydropyridine derivatives is accomplished using novel and efficient ZnO/ZrO2 catalyst. The catalysts prepared by facile precipitation and wet impregnation method have been characterized by using techniques like XRD, SEM, EDS, UV-diffuse reflectance spectra, FTIR, XPS, BET surface area. Ex situ Pyridine absorption FTIR spectroscopy is used to determine the Bronsted and Lewis

Salicylaldehyde derived hexadentate Schiff base N,N‟-Bis[2-salicylideneamino]ethane-1,2-diamine (TTS) and its complexes with Fe(III), Co(II) and Cu(II) metal ions have been prepared and characterised by elemental analysis, UV-visible, IR, 1H NMR, EPR spectral analysis, mass spectrometry and XRD method. In vitro antibacterial activity of the Schiff base and its metal complexes against Gram positive

The kinetics of the oxidative decolcourisation of crystal violet (CV+) as a cationic dye by peroxydisulphate using silver(I) catalyst in aqueous acidic medium has been studied. The effects of different parameters like hydrogen ion, silver(I), reactants concentration, micelles and temperatures are investigated. The reaction between [CV]+ and persulphate is investigated under pseudo-first-order kinetics

A condensation reaction between 1-cyclobutyl-3,4-dihydroisoquinoline and thioglycolic acid has been carried out using DCC yields 10b-cyclobutyl-5,6-dihydro-2H-thiazolo [2, 3-a] isoquinolin-3(10bH)-one [CBIQTGA]. The synthesized compound is characterised by using spectroscopic techniques. The interaction of CBIQTGA with bovine serum albumin has been studied using UV spectroscopy, spectrofluorimetry

Europium fluorescence is significantly enhanced through ligand sensitization using aromatic benzene mono and di carboxylic acids as ligands in aqueous solution. By optimising metal to ligand ratio and solution pH, it is established that the enhancement is maximum with isophthalic and terephthalic acid. Phosphorescence of isophthalic acid is recorded and its triplet energy level is found to be at 25633

Dichlorvos (DDVP) analysis using visible spectrophotometer, gas chromatography-mass spectrometry and liquid chromatography mass spectrometry has been studied extensively. The major drawback of all the method is requirement of standardisation, expensive and maintenance nature of instrument involvement. Since, many governments has banned the use of DDVP, standardisation is quite challenging with single

The thermo-physical parameters like density, ultrasonic velocity and viscosity have been experimentally measured for the ternary liquid mixtures of 1-pentanol with N,N dimethyl formamide (N,N-DMF) / o-methoxy phenol or 2-methoxy phenol (OMP) / m-methoxy phenol or 3-methoxy phenol (MMP) in n-hexane medium at various temperatures like 303 K, 308 K and 313 K. Certain acoustical and thermodynamic parameters

Nickel- Iron bimetallic oxide nanoparticles have been synthesized in ethylene glycol using microwave irradiation technique. The microwave assisted synthesized Nickel and iron oxide nanoparticles are combined together in 1:1 molar ratio and treated under microwave irradiation followed by calcination to get Ni-Fe bimetallic oxide. The structure and composition of nanoparticles are characterized by UV-visible

In this study, Y1.50Sc0.50O3:Sm3+ and Y1.50Sc0.50O3:Dy3+ have been synthesized by a solid state reaction method and theirphotoluminescence (PL) properties have been investigated. Single-phase and well-crystallized cubic Y1.50Sc0.50O3:Sm3+ andY1.50Sc0.50O3:Dy3+ phosphors are obtained after calcinations at 800 ºC and 900 ºC for 6 h. X-ray diffraction patterns confirm that both phosphors have a cubic

Electrocatalysts are composed of transition metal/metal oxide and N-doped carbon can overcome the sluggish kinetics of oxygen reduction reactio. Herein, the Co3O4/ketjen black (KB)@MOF-derived with uniformly dispersed and ultrafine Co3O4 nanoparticles (1-5 nm) are synthesized by a facile in-situ method and subsequent mild pyrolysis process. It exhibits enhanced activity with onset potential of 0.96

In aqueous perchloric acid medium (pH = 0.522 – 1.3), N–benzylhydroxylamine (two electron reductant) reduces the one electron oxidant, superoxo ligand in [(dien)(en)CoIII(O2)CoIII(en)(dien)](ClO4)5 (1) to the corresponding hydroperoxo complex,[(en)(dien)CoIII(HO2)CoIII(en)(dien)]5+ (2) and itself gets oxidised to PhCH2NO following both proton coupled electron transferpath and an electron transfer reaction

The transition metal(II) chelates have been prepared by the reactions of bis-Schiff base ligands derived from 4-hydroxy benzohydrazide and isophthalaldehyde/ o-phthaldehyde in 1:1 metal to ligand ratio. The formed ligands and their metal complexes have been investigated by elemental analysis, different spectroscopic and thermal analyses techniques. The low molar conductance values give the non-electrolytic

Catalytic electroreduction of nitrite ion in presence of thioglycolic acid in ammonium acetate buffer medium shows the possibility of devising an analytical method for determination of nitrite at low concentration. A wide linear range of 0.9-9 μg/mL is achieved. The limit of quantification is found to be 0.7 μg/mL using differential pulse polarography method. The method has been successfully applied

Binding of a binaphthoquinone derivative namely, 5a,5b-dimethyldibenzo[b,h]biphenylene- 5,6,11,12(5aH,5bH,11aH,11bH)-tetraone (L, C22H16O4) with bovine serum albumin (BSA) and human serum albumin (HSA) have been examined by using fluorescence spectroscopy. The fluorescence emission of the L is quenched upon addition of L to a solution of BSA or that of HSA, but the BSA has shown a higher affinity towards

One of the strategies to decrease the bandgap energy and increase the optical absorption of the catalysts is to dope with transition metal ions. In this paper, the results obtained for the degradation of methylene blue (MB) pollutant in the presence of M2+ (M = Ni, Cu, and Zn) doped KTaTeO6 (M-KTTO) upon visible light irradiation are presented. The parent KTaTeO6 and the M-KTaTeO6 were prepared by

The stoichiometric reactions between Ni(II) hydroxy-carbonates and N-p-(R)-H2pheida derivatives (R = MeO or F for MOpheida or Fpheida, respectively) yield two binary compounds [Ni(MOpheida)(H2O)3] (1) and [Ni(Fpheida)(H2O)3] (2). The crystal of compounds 1 and 2 are iso-type; space group P21/c. Our crystallographic results revealed that both studied metal-chelates have molecular structure and the used

Schiff base ligands comprising heterocyclic moieties deserve distinct consideration because of their excellent chemotherapeutic and antioxidant properties as biologically active agents. In present investigation, two novel heterocyclic triazole derived Schiff base ligands have been synthesized using 3-chlorobenzaldehyde (L1), 4-methoxybenzaldehyde (L2) with 1H-1,2,4-triazol-3-amine backbone that are

An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4- nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] 2 with the N-heterocycle functioning as a solvate

The stoichiometric reactions between Ni(II) hydroxy-carbonates and N-p-(R)-H2pheida derivatives (R = MeO or F for MOpheida or Fpheida, respectively) yield two binary compounds [Ni(MOpheida)(H2O)3] (1) and [Ni(Fpheida)(H2O)3] (2). The crystal of compounds 1 and 2 are iso-type; space group P21/c. Our crystallographic results revealed that both studied metal-chelates have molecular structure and the used

Binding of a binaphthoquinone derivative namely, 5a,5b-dimethyldibenzo[b,h]biphenylene-5,6,11,12(5aH,5bH,11aH,11bH)-tetraone (L, C22H16O4) with bovine serum albumin (BSA) and human serum albumin (HSA) have been examined by using fluorescence spectroscopy. The fluorescence emission of the L is quenched upon addition of L to a solution of BSA or that of HSA, but the BSA has shown a higher affinity towards

Schiff base ligands comprising heterocyclic moieties deserve distinct consideration because of their excellent chemotherapeutic and antioxidant properties as biologically active agents. In present investigation, two novel heterocyclic triazole derived Schiff base ligands have been synthesized using 3-chlorobenzaldehyde (L1), 4-methoxybenzaldehyde (L2) with 1H-1,2,4-triazol-3-amine backbone that are

One of the strategies to decrease the bandgap energy and increase the optical absorption of the catalysts is to dope with transition metal ions. In this paper, the results obtained for the degradation of methylene blue (MB) pollutant in the presence of M2+ (M = Ni, Cu, and Zn) doped KTaTeO6 (M-KTTO) upon visible light irradiation are presented. The parent KTaTeO6 and the M-KTaTeO6 were prepared by

Catalytic electroreduction of nitrite ion in presence of thioglycolic acid in ammonium acetate buffer medium shows the possibility of devising an analytical method for determination of nitrite at low concentration. A wide linear range of 0.9-9 µg/mL is achieved. The limit of quantification is found to be 0.7 µg/mL using differential pulse polarography method. The method has been successfully applied

An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] 2 with the N-heterocycle functioning as a solvate

This paper describes the synthesis of {bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate}(2:1) molecule by mixing bis(acetylacetonato)dioxo molybdenum(VI) and 3-(E)-{1-(furan-2-yl)ethylidene)amino]-1-phenylurea. The structure of the molecule was determined by using single crystal X-ray diffraction technique. Structure determination reveals that the title complex Mo8O26.2(C4H9N3) contains two moieties

The new dibasic tetradentate (ONNO) Schiff base ligands (L1and L2) have been synthesized by the reaction of terephthalaldehyde with 2-amino 4-chlorophenol and X (where, X=2-amino 4-methylphenol, 2-aminophenol) in 1:1:1 molar ratio. The macrocyclic binuclear Co(II), Ni(II) and Cu((II) metal complexes are prepared in ligand to metal ratio 2:2. The elements, metal structure and binding sites of Schiff

One new polymeric cadmium(II) complex {[Cd(bdmpe)(µ1,5-dca)]ClO4.CH3OH}n has been synthesized by the reaction of cadmium perchlorate with ligand N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-(phenylthio)ethan-1-amine (bdmpe) in presence of dca (dicyanamide, N(CN)2-) as bridging ligand in methanol and characterized by spectroscopic techniques. Single crystal X-ray diffraction study of the complex

A new compound, [Co(H2O)6](ClO4)2.(HMTA)2.2H2O; HMTA = hexamethylenetetramine) has been synthesized and characterized with the assistance of X-ray crystallography, elemental analysis, FT-IR spectroscopy, TG-DTA and DSC (N2 atmosphere). Both TG data model-fitting method as well as method of model free isoconversional have been employed to observe the kinetics of thermolysis of the compound. In order

Gemini surfactants that served as environmentally friendly corrosion inhibitors, have been successfully synthesized by the reaction of SDS/ CTAB with glucose/ EDTA as spacer. Their molecular structure is confirmed by 1H-NMR and FTIR spectroscopy. By tensiometric method, the surface activity of the synthesized Gemini surfactants has been determined in terms of various parameters like the critical micelle

The influence of external electrical field (EF) over the trans and cis isomers of azobenzene is investigated upto molecular orbital level with the aid of density functional theory. The frontier molecular orbital analysis and electrostatic potential (ESP) mapping are used to figure out the response of the molecules (trans and cis isomers of azobenzene) to the applied EF. The variation in dipole moment

Molybdenum- and tungsten-containing (M7O246-, M = Mo or W) layered double hydroxides (LDHs) with Mg2+ and Al3+ cations in the brucite-like layer have been prepared by direct anion exchange, starting from the corresponding terephthalate precursor. The solids have been characterized by various instrumental techniques such as elemental chemical analysis, powder X-ray diffraction, infrared spectroscopy

A novel Schiff base 4-{(E)-[(3-methyl-5-sulphanyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzaldehyde (MSTB) and its complexes with Ag(I), Hg(II), Cu(II), Ni(II) and Co(II) have been prepared. MSTB is prepared by the condensation reaction between triazole and terephthaldehyde. In complexes, MSTB molecules are found to link with the metal ion, through thiolsulphur after deprotonation and the nitrogen of

The effect of some added electrolytes, viz. NaCl, CaCl2 and AlCl3, on the critical micelle concentration (CMC), maximum surface excess concentration (Gmax) and minimum area per molecule (Amin) at air-liquid interface of a cationic surfactant cetylpyridinium chloride (CPC) in aqueous solutions have been studied at 288.15, 293.15 and 298.15 K using tensiometric method. The effect of an added electrolyte

A series of 2-phenmethylamino-7-methyl-1,8-naphthyridine/alkali metal ion (Li+ and Na+) complexes have been synthesized using a polymeric medium (poly(acrylic acid)) as the key activating component. Upon exposure to methanol or ethanol vapour at ambient temperature, the emission colour of prepared complexes in solid powder and thin film states changes from red-orange or pink to blue, respectively.

The structural and electronic properties of mono and di-methyl substituted poly(p-phenylene benzobisthiazole) oligomers have been investigated theoretically employing quantum chemical calculations based on density functional theory (DFT) using the B3LYP functional. The neutral states geometries of these oligomers have been used to calculate the HOMO-LUMO gaps (DH-L), ionization potentials (IP) and

Novel Schiff bases, Furan-2-carboxylic acid pyridin-4-ylmethyleneamide , and Thiophene-2-carboxylic acid 1H-indol-2-ylmethyleneamide and their mononuclear Ni(II) and Cu(II) complexes have been synthesized and characterized by elemental analysis, molar conductance, UV-visible, FT-IR, 1H NMR and EPR spectroscopy. The complexes are non-electrolytes as evidenced from the molar conductance vaules. The ligands

Synthesis and structural characterization of N(4)-substituted 2-acetylpyridine-N(4)-methyl-3-thiosemicarbazone (L) and its two metal complexes [Cu(L)(OAc)] (1) and [ZnL(OAc)]2 (2) are reported. Between the two complexes 1 is found to have good anticancer activity against Human lung cancer cell line (A549). Fluorescence microscopy finds the formation of reactive oxygen species on treatment of the cancer

Treatment of cis/trans-[PtCl2(N≡CR)2] 1 (R = CH3 (1a), C2H5 (1b), C6H5 (1c), CH2C6H4(p-CH3) (1d)) with 1,3-diiminoisoindoline 2 gives access to the corresponding symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato) platinum(II) complexes [PtCl{NH=C(R)N=C(C6H4)NC=NC(R)=NH}] 3a-d, in good yields (65–77%). The compounds 3a-d have been characterized by IR, 1H, 13C and DEPT-135 NMR spectroscopies, ESI-MS

Two copper(II) complexes have been synthesized and characterized using elemental and spectral analysis. The molecular structures of both complexes have been confirmed by single crystal X-ray analysis. The stability of the metal centre was examined using cyclic and differential pulse voltammetry in DMSO solution. X-band electron paramagnetic spectra were recorded both in solid and frozen solution to

The synthesis, spectra, thermal study and crystal structure of a mixed ligand copper(II) compound viz. [Cu(biq)(acac)(NO3)] 1 (biq = 2,2′-biquinoline, acac = acetylacetonate) are reported. The {CuN2O3} coordination sphere is made up of two oxygen atoms of an unique acac ligand, an oxygen of the nitrate group and one N atom of biq ligand which form the basal plane {CuNO3} of a square pyramid. A second

Ligational behaviour of the heterocyclic ligand obtained by coupling of diazotized 2-amino-3-carboxyethyl-4,5-dimethylthiophene with β-naphthol towards some selected lanthanide(III) ions has been studied. Various spectral and physico-chemical techniques have been used to confirm the coordination sites of the ligand (HTAN) and its lanthanide(III) complexes. It has been observed that these ligands coordinate

The manganese doped zinc selenide nanoparticles (ZnSe:Mn NPs) have been synthesized by thermolysis method using oleic acid and oleylamine as capping agents, and 1-octadecene as solvent. Coating of mesoporous silica is done on ZnSe:Mn (ZnSe:Mn@mSilica) which is further functionalized with amine functional groups by treating with (3-aminopropyl)trimethoxysilane. Further pegylation is done to achieve

A series of mononuclear organoantimony(III) and organoarsenic(III) complexes of bidentate Schiff base [2-(2-fluorophenyl)methylene]hydrazinecarbothioamide (LH) have been synthesized by the reaction of Ph3Sb and Ph3As with ligand in 1:1 and 1:2 molar ratios. All the synthesized compounds were characterized by elemental analyses, melting point determinations and a combination of electronic, IR, 1H NMR

Density functional calculations have been performed to see the effect of sulfur substitution in place of oxygen at central four membered acceptor squarate ring on electronic excitations, charge transfer and second order non-linear optical properties in visible absorbing squaraines (SQ). Molecules oxy-thiosquaraines (OSQ) and thiosquaraines (SSQ) have shown red shift in absorption as compared to their

A new series of bimetallic Ni-Co catalysts, prepared by step wise substitution of Ni by Co, in mono metallic Ni (8%)/ CeO2 -Al2O3, with the compositions of 6%Ni-2% Co, 4%Ni-4%Co, 2.5%Ni-5.5%Co and 8%Co, have been evaluated for conversion of ethanol to butanol and higher alcohols according to Guerbet alcohol chemistry. XRD, TPR and XPS studies reveal the formation of Ni-Co alloys at specific bimetallic

Complexes of the general formula Cp2Ti(IV)L, Cp2Zr(IV)L, Cp2Ti(IV)L1 and Cp2Zr(IV)L1 have been synthesized with N,N’-bis(2-pyridyl)pyridine-2,6-dicarboxamide (H2L) and 9,10-phenanthrenequinone dioxime (H2L1). The complexes have been characterized by different spectral techniques and their reduction reactions have been carried out with hydrated electron as reducing radical, mechanism which has been

Synthesis of some novel metal complex of different transition metal likes Co, Cu and Ni have been carried out with (E)-5-(3-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)acryloyl)-2-hydroxybenzamide ligand with the appropriate metal salts i.e. Co(CH3COO)2·6H2O, Ni(CH3COO)2·6H2O and Cu(CH3COO)2·2H2O. The structure conformation of ligand molecule is done by using various spectroscopic techniques such

In this study, four new mixed-ligand saccharin complexes with 2-[[(2-Aminophenyl)imino]methyl]-6-methoxy phenol Schiff base and metal saccharinates (nickel, copper, zinc and cadmium) have been prepared and characterized with various methods including elemental analysis, FT-IR spectroscopy, UV-visible absorption spectroscopy, NMR spectroscopy, QTOF-LC/MS spectroscopy. All methods have confirmed the

1D and 2D cobalt(II) coordination polymers, [Co(2,3-dpc)(H2O)2]n (1), [Co(2,5-dpc)(H2O)3]n (2) and [Co(3,5-dpc)(H2O)2]n (3) (dpc = dipicolinic acid dianion) have been successfully synthesized by reaction of dipicolinic acid ligands with CoF2 in aqueous methanolic solution under hydrothermal conditions. High resolution mass spectroscopy investigation reveals the forming process of CO during the photocatalytic

The polyaniline-coated magnetite/silica nanomaterials (Fe3O4@SiO2/PANI) have been synthesized and successfully applied as an effective sorbent for preconcentration of several typical organic acids from environmental water samples. The properties of Fe3O4@SiO2/PANI are characterized by FT-IR and XPS. These magnetic materials can enrich trace organic acids effectively by solid-phase extraction. Three

A luteolin–zinc(II) (lut–Zn) complex has been synthesized by the reaction of luteolin with copper acetate in alcohol. The binding mode of lut–Zn with calf thymus deoxyribonucleic acid (ctDNA) is studied by different spectroscopic methods in pH 7.4 tris(hydroxymethyl)aminomethane–HCl (Tris–HCl) buffer solution. Ultraviolet (UV)–visible absorption spectrophotometry and fluorescence spectroscopy as well

A new set of organic-inorganic hybrid complexes of lead(II) of sterically demanding heterocyclic β-diketones and flexible N-protected amino acids of composition Pb[RC(O)CH3][CHR'COO] (where R = C6H5, p-ClC6H4, CH3 and R’ = CH(CH3)C2H5, CH2CH(CH3)2 and CH(CH3)2 ) has been generated by the reactions of freshly prepared lead isopropoxide with sterically demanding heterocyclic β-diketones (LH) and flexible

A computer based investigation has been made pH-metrically on the chemical speciation of mixed ligand complexes in ternary systems consisting of cobalt(II), nickel(II), copper(II) and zinc(II) with aspartic and citric acids in various concentrations (0.0–2.5% v/v) of the triton-X 100 surfactant solution maintaining an ionic strength of 0.16 mol dm-3 with sodium hydroxide at 303.0+0.1 K. These ligands