Papers by Chittaranjan Sinha
Zenodo (CERN European Organization for Nuclear Research), Nov 1, 2016
Cu(NNS)Cl 2 (NNS : 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole) reacts with some bidentate chel... more Cu(NNS)Cl 2 (NNS : 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole) reacts with some bidentate chelating ligands like, N,N (2,2-bipyridine, 1,10-phenanthroline), N,O (oxine, picolinic acid) and O,O (salicylic acid, oxalic acid) to prepare mixed ligand complexes, [Cu(NNS)(N,N)](ClO 4 ) 2 , [Cu(NNS)(N,O)](ClO 4 ) and [Cu(NNS)(O,O)]. The complexes are characterized by the elemental analysis, Mass, molar conductance measurements, magnetic moment data. Penta-coordinated distorted square pyramidal structure is supported by spectral studies (FT-IR, UV-Vis). The cyclic voltammetric measurements and EPR spectral studies assign Cu II redox state. DFT and TD-DFT computation have been carried out of representative complex to explain spectral and redox properties.
![Research paper thumbnail of Exploration of [2+2] photodimerization of coordination polymers in various applications](https://attachments.academia-assets.com/122030197/thumbnails/1.jpg)
Zenodo (CERN European Organization for Nuclear Research), Dec 1, 2020
The exploration of coordination polymers (CPs) composed of metal ion and organic ligand has been ... more The exploration of coordination polymers (CPs) composed of metal ion and organic ligand has been incipient at an astonishing pace. The promising applications and essential diversity in structure of these materials are the driving forces behind the extensive research of such kind. Actually, inorganic metal ions and organic ligands (carboxylate, sulphate etc.) or neutral molecules (N, S donor ligands) are contented to formulate these polymeric compounds. These are the leading accessories to the advancement of solid-state coordination chemistry which is termed as 'crystal engineering' presented by Schmidt. Although, the terminology has been used in regard to the solid-state photochemical [2+2] cycloaddition reaction for first time, subsequently, this [2+2] cycloaddition reaction has been unveiled within the CPs and resulting structural transformation promotes different potential applications: gas sorption, magnetism, sensing, dielectric property, isolation of new organic ligand, electrical conductivity, photo salient effect, flexibility and elasticity of materials. Herein, we discuss on the impact of [2+2] cycloaddition reaction of CPs for various potential applications.
Zenodo (CERN European Organization for Nuclear Research), Apr 1, 2018
Cu(PPh 3 ) 2 (RaaiR)]ClO 4 and [Ag(PPh 3 ) 2 (RaaiR)]NO 3 (RaaiR, 1-alkyl-2-(arylazo)imidazole... more Cu(PPh 3 ) 2 (RaaiR)]ClO 4 and [Ag(PPh 3 ) 2 (RaaiR)]NO 3 (RaaiR, 1-alkyl-2-(arylazo)imidazole)) complexes are spectroscopically characterised and in one case, [Cu(PPh 3 ) 2 (HaaiMe)]ClO 4 (3a), the structure is confirmed by single crystal X-ray diffraction measurement. UV light irradiation to the solution of the complexes in DMF (free ligand in MeOH) show trans-to-cis isomerisation about -N=N-C 6 H 4 -R. The reverse transformation, cis-to-trans, is carried out under thermal condition. Quantum yields ( tc ) of trans-to-cis isomerisation of free ligand is higher than their complex phase. The activation energy (E a ) of cis-to-trans isomerisation is calculated by controlled temperature experiment and is found that E a (ligands) > E a (complexes). The Density Functional Theory has been used to calculate electronic structure of the optimized geometry and hence the interpretation of the spectral and photochromic properties.
Zenodo (CERN European Organization for Nuclear Research), Dec 31, 2011
Eight new organic-inorganic hybrid compounds or 1,3-dialkyl-2-(arylazo)imidazolium, [RaaiR'R"] +,... more Eight new organic-inorganic hybrid compounds or 1,3-dialkyl-2-(arylazo)imidazolium, [RaaiR'R"] +, and [Bi 4 I 16 ]4-ion are synthesized. The structure has been established by spectral (FT-IR, UV-Vis, 1 H NMR) data and the structural conrirmation has been done by single crystal X-ray diffraction study in case or [Meaa1Me 2 + ] 4 [Bi 4 1 16 ] 4 -(\\here The DFT computation has been used to explain the electronic structure and the electronic spectra of the compounds.
Zenodo (CERN European Organization for Nuclear Research), Aug 1, 2020
Sulfamethoxazolyl-azo-salicylic acid, SMX-N=N-C 6 H 3 (p-OH)(m-COOH) (1) and its Cu(II) complex, ... more Sulfamethoxazolyl-azo-salicylic acid, SMX-N=N-C 6 H 3 (p-OH)(m-COOH) (1) and its Cu(II) complex, Na 2 ) are structurally characterized by different spectroscopic data. The single crystal X-ray structure of 1 shows inter-and intra-molecular hydrogen bonds and --- interactions and has constituted 1D chain. The optimized structure of 2 is optimized by theoretical computation. The compounds, 1 and 2, show better antimicrobial activity to S. aureus (Gram-positive bacteria) and E. coli (Gram-negative bacteria) relative to the drug SMX and follow the order SMX < 1 < 2. The IC 50 data of S. aureus are 320.2 g/ml (SMX), 210.1 g/ml (1), 150.2 g/ml (2) and that of E. coli are 300.1 g/ml (SMX), 200.0 g/ml (1), 147.2 g/ml (2). The compounds, 1 and 2, also exhibit promising anticancer activity against human breast cancer cells, MDA-MB 468 and the LD 50 values are 63.00 (1), 65.00 (2) M. The electronic and spectral properties have been explained by DFT and TD-DFT data. In silico Molecular Docking is analyzed to determine the most favorable binding site of minimum free energy of the drugs with the active site residues of DHPS (dihydropteroate synthetase).
Zenodo (CERN European Organization for Nuclear Research), Dec 1, 2018
A new coordination polymer, [Cd(2-ab) 2 ] n , (1; 2-ab = 2-amino benzoate) has been synthesized b... more A new coordination polymer, [Cd(2-ab) 2 ] n , (1; 2-ab = 2-amino benzoate) has been synthesized by the reaction of 2-aminobenzoic acid (2-aba) with Cd(NO 3 ) 2 •4H 2 O. Single crystal X-ray crystallographic structure determination reveals that 1 has twodimensional (2D) sheet structure with (4,4) square grid net. Besides, there have been an extensive H-bonding and C-H••• interactions present in the supramolecular network of 1. Band gap calculation by density functional theory (DFT) computation reveals that the compound 1 possesses semiconducting property. The experimental band gap has also been determined by optical study and the value has a good agreement with the theoretical calculation.
Zenodo (CERN European Organization for Nuclear Research), Oct 1, 2019
A probe 6,6-((1Z,1Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis-(met... more A probe 6,6-((1Z,1Z)-(((propane-1,3-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis-(methanylylidene))bis(2ethoxyphenol) (H 2 L), is synthesized by the condensation of 2,2-(propane-1,2-diylbis(oxy))dianiline with 3-ethoxy-2-hydroxybenzaldehyde and characterized by various spectroscopic techniques ( 1 H NMR, FT-IR, ESI-MS etc.), exhibits greenish yellow emission ( em 556 nm) upon binding with Zn 2+ ion in H 2 O-CH 3 CN (1:9 v/v, HEPES buffer, pH 7.4) in a mixture of seventeen other biologically important metal ions. The limit of detection (LOD) is 15.5 nM. The 1:1 composition of the complex, Zn 2+ : L 2-, is supported by Job's plot, ESI-MS and 1 H NMR measurements.
Zenodo (CERN European Organization for Nuclear Research), Jun 1, 2020
Ir(III) complexes of 1-alkyl-2-(tolylazo)imidazoles (TaiR, 1; R = Me (a), Et (b), CH 2 Ph (c)), [... more Ir(III) complexes of 1-alkyl-2-(tolylazo)imidazoles (TaiR, 1; R = Me (a), Et (b), CH 2 Ph (c)), [Ir(TaiR) 2 Cl 2 ](ClO 4 ) (2) have been synthesized. All the complexes have been characterized by elemental and spectral (IR, UV-Vis, Mass and 1 H NMR) analysis. The DNA binding property of the complexes has been studied by spectroscopic methods. Density functional theory (DFT) computation technique has been performed to interpret the electronic structures and spectral properties of the complexes.
Zenodo (CERN European Organization for Nuclear Research), Sep 30, 1998
The reaction between 3-formylsalicylic acid and 2-aminothiophcnol yielded the thiazoline (2) inst... more The reaction between 3-formylsalicylic acid and 2-aminothiophcnol yielded the thiazoline (2) instead of the ligand l13L (3). The treatment of metal acetate under refluxing condition rearranges the thiazoline structure to Schiff base complexes. The complexes of copper( II) ( 4), nickel(n) (5), zinc(u) (6), palladium(u) (7) and uranyl(vl) (8) have been synthesised and characterised by elemental analysis, h:, uv-vis and thermal studies and partly by 1 H nmr, magnetic and cyclic voltammetric measurements. We are interested for the last couple of years in the development of coordination 1 and organometallic 2 chemistry of Schiff bases having sulfur donor centres in a chelating environment. The Schiff base ligands are chosen for their versatility in transition metal chemistry 3 -6 . The ligands derived from 3-formylsalicylic acid (3FSA, 1) and amines/diamines are quite interesting for their compartmental behaviour 4 . They can bind single 5 or multiple 4 • 6 metal ions to mimic bioinorganic, catalytic and magnetic materials. These have encouraged to study the reactions of a ligand derived from 3FSA and 2-aminothiophenol with Cull, Nin, znn, Pdll and U0¥ 1 • The reaction between 3-formylsalicylic acid and 2aminothiophenol in methanol yielded the thiazoline (2) instead of Schiff base H 3 L (3). It may act either polypodal NOO/SOO (in 2) or SNOO (in 3) or as tridentate ONS chelator. The ir spectrum shows a number of important vibrations at 1700, 3100 and 3350 cm-1 corresponding to VcooH• v 0 H and vNH respectively. The condensation is supported by the elimination of VcHo at 1660 cm-1 in 3FSA (1). The absence of VsH and Vc=N at -2600 and -1600 cm-1 respectively, suggests benzthiazoline structure 7 . The 1 H " S' H~o• " ;Q:oS' "
ACS omega, Nov 13, 2019
Pb 2 (bdc) 1.5 (aiz)] n (1) and [Pb 2 (bdc) 1.5 (aiz)-(MeOH) 2 ] n (2) (H 2 bdc = 1,4-benzene dic... more Pb 2 (bdc) 1.5 (aiz)] n (1) and [Pb 2 (bdc) 1.5 (aiz)-(MeOH) 2 ] n (2) (H 2 bdc = 1,4-benzene dicarboxylic acid, aiz = (E)-N′-(thiophen-2-ylmethylene)isonicotinohydrazide) have been synthesized, and structural characterization has been established by X-ray analysis and thermogravimetric analysis (TGA). Here, bdc 2-links two Pb(II) centers and the aiz ligand binds the metal centers in two different manners: chelating and monodonating. Thus, polymerizations have taken place from the combination of mixed ligand system. Optical band gaps have been studied via UV measurements. Again, the experimental and calculated (from density functional theory (DFT)) band gaps agree well and the semiconducting properties of synthesized polymeric materials have been approved. Thus, optoelectronic and photonic devices can be made by this type of coordination polymers (CPs). The I-V representative curves of 1 (device-A) and 2 (device-B) in both dark and illuminated conditions show that device-A has a higher magnitude of current than device-B. Dark-and photo-conductivity values of device-A are calculated as 2.94 × 10 -6 and 6.12 × 10 -6 S m -1 , respectively, whereas for device-B, the values of dark-and photo-conductivity are 2.92 × 10 -7 and 3.66 × 10 -7 S m -1 , respectively, at room temperature.
ACS omega, Nov 8, 2019
Designing a fluorogenic probe for the determination of Pd 2+ is a challenging analytical task. Pd... more Designing a fluorogenic probe for the determination of Pd 2+ is a challenging analytical task. Pd 2+ is a potentially toxic and harmful substance even at a very low level of contamination in the end product. Herein, a promising spirolactam-functionalized chemosensor, rhodamine-appended benzophenone (HBR), is designed and characterized by spectroscopic ( 1 H NMR, 13 C NMR, ESI-MS, and FT-IR) data along with the single-crystal X-ray diffraction technique. It acts as a highly sensitive and selective fluorogenic chemosensor for Pd 2+ ions over other environmentally relevant cations in aqueous ethanol (1:1, v/v) at pH 7.4. The limit of detection (LOD) is 34 nM that is far below the WHO recommended Pd uptake (47 μM). The plausible mechanism involves the specific binding of HBR with Pd 2+ and the formation of 1:1 stoichiometry of the complex, which has been supported by ESI-MS, FT-IR data, Job plot, and association constant data (Benesi-Hildebrand plot). The computation study has been attempted to explain the ring cleavage fluorescence enhancement scheme of HBR upon binding with Pd 2+ . Furthermore, this "turn-on" probe has successfully applied to image the Pd 2+ ion in cultured MDA-MB-231 cells.
Zenodo (CERN European Organization for Nuclear Research), Dec 1, 2017
Four sulfamethoxazolyl-azo Schiff bases, SMX-N=N-C 6 H 2 (p-OH)(m-OCH 3 )(m-CH=N-C 6 H 4 -R) (Sul... more Four sulfamethoxazolyl-azo Schiff bases, SMX-N=N-C 6 H 2 (p-OH)(m-OCH 3 )(m-CH=N-C 6 H 4 -R) (Sulfamethoxazole, SMX; R = H (2a), -CH 3 (2b), -Cl (2c), -OCH 3 (2d)) have been prepared by the condensation of SMX-N=N-C 6 H 2 (p-OH)(m-OCH 3 )(m-CHO) (1) with R-C 6 H 4 -NH 2 . The compounds are characterized by spectroscopic studies (FT-IR, UV-Vis, Mass, NMR). The structural confirmation has been carried out by single crystal X-ray diffraction studies in one case, SMX-N=N-C 6 H 2 (p-OH)(m-OCH 3 )-C=N-C 6 H 4 -p-CH 3 ) (2b). The supramolecular 1D chain is constituted by inter-and intra-molecular hydrogen bonds and also by --- interaction of aromatic rings. The antibacterial properties have been evaluated against Gram-positive bacteria. Most favored binding mode of the drugs with the active site residues of DHPS (dihydropteroate synthetase) is established by in silico Molecular Docking using Discovery studio 3.5 software.
Research Square (Research Square), May 9, 2023
{[Cd(5-NIPA) 2 (PBT) 2 ]} n (1) [5-H 2 NIPA = 5-nitroisophthalic acid, PBT= 2-pyridin-4-ylbenzoth... more {[Cd(5-NIPA) 2 (PBT) 2 ]} n (1) [5-H 2 NIPA = 5-nitroisophthalic acid, PBT= 2-pyridin-4-ylbenzothiazole], 1D Coordination Polymer (1D-CP), has been synthesised and characterized by single crystal X-ray crystallography. The 1D polymeric structure of 1 is constructed by carboxylato bridging of NIPA 2-where two -COO -binds in two different fashion -one is chelated while other bridges two neighbouring Cd(II) centres forming a six-membered dinunclear metallacycle. 1D chains self-assembled via H-bonding and π×××π interaction to construct a supramolecular aggregate. The Hirshfeld surface analysis also supports the persistence of different weak interactions in the compound. To get future prospects and electronic nature of compound 1 the DFT (Density Functional Theory) computation using crystallographic parameters has been performed. From the calculation it is observed that the energy difference between HOMO and LUMO is 0.29 eV. This may be an indication about the future applicability of 1 as a semiconducting material. The photo-physical properties are also investigated to understand the chemical nature of the polymeric network.
Zenodo (CERN European Organization for Nuclear Research), Aug 31, 2022
Energy crisis, environmental pollution, population explosion, sustainable development etc. are po... more Energy crisis, environmental pollution, population explosion, sustainable development etc. are popular public catchwords for the last century. To minimize energy loss is on the other hand improve the sustainability of energy use. Transmission and Distribution (T & D) losses are both technical and management part in the power grid in the process of transporting electricity from generating stations to points of consumption. The loss is reached to -30% of power generation. It has multiple impact on socio-economic condition. The metallic conductor shows super-conductivity at very low temperature which has technomanagement problem. There is an upsurge in the research for exploration of superconducting materials at room temperature and high temperature. The coordination polymer shows tunable electrical properties. Recently, Metal Organic Frameworks (M OFs) have received intensive attention in the field of charge storage and transportation. These are exceptional hybrid crystalline porous materials that show powerful room temperature to high temperature superconductivity. This review accounts on the effect of composition, structure, binding etc. of the molecules/materials on the electrical conductivity to superconductivity.
Zenodo (CERN European Organization for Nuclear Research), Oct 31, 1997
Mercuric chloride reacts with thioazobenzenelthioazomethinc in methanol under refluxing condition... more Mercuric chloride reacts with thioazobenzenelthioazomethinc in methanol under refluxing condition and orange products are isolated on slow evaporation. The compounds are five-membered N,S chelate having tetrahedral structure ofHg(N,S)CI 1 •
arXiv (Cornell University), Jun 11, 2019
Charge transport through a rectangular vector potential barrier modulated by a continuum laser in... more Charge transport through a rectangular vector potential barrier modulated by a continuum laser in monolayer phosphorene is studied theoretically in the ballistic regime along the line of Floquet formalism. Laser free transmission profile displays strong directional behavior exhibiting collimation depending on the incident energy and width of the barrier. However, the application of laser, polarized along the zig-zag direction, creates a sharp anti-resonance in the transmission spectrum and reveals a strong light matter interaction due to broken symmetry in presence of the magnetic vector potential. Transmission properties through a vector barrier are found to be sensitive particularly for lower frequency and higher intensity of the laser. For a thin barrier, the laser assisted conductance is suppressed remarkably in contrast to its oscillatory nature for a thicker one.
Molecules, Aug 31, 2021
Cu(CPA)(BDC)] n (CPA = 4-(Chloro-phenyl)-pyridin-4-ylmethylene-amine; BDC = 1,4benzenedicarboxyla... more Cu(CPA)(BDC)] n (CPA = 4-(Chloro-phenyl)-pyridin-4-ylmethylene-amine; BDC = 1,4benzenedicarboxylate) has been synthesized and structurally characterized by single crystal X-Ray diffraction measurement. The structural studies establish the copper (II) containing 2D sheet with (4,4) square grid structure. The square grid lengths are 10.775 and 10.769 Å. Thermal stability is assessed by TGA, and subsequent PXRD data establish the crystallinity. The surface morphology is evaluated by FE-SEM. The N 2 adsorption-desorption analysis demonstrates the mesoporous feature (∼6.95 nm) of the Cu-MOF. This porous grid serves as heterogeneous green catalyst with superficial recyclability and thermal stability and facilitates organic transformations efficiently such as, Click and Knoevenagel reactions in the aqueous methanolic medium.
ES Materials & Manufacturing
Single crystal X-ray structure of amino-isophthalate bridged Mn (II) coordination polymer, {[Mn(a... more Single crystal X-ray structure of amino-isophthalate bridged Mn (II) coordination polymer, {[Mn(asp)(H2O)].(H2O)2}n (compound 1) [H2asp = 5-amino isophthalic acid] is determined to support previously characterized structure of the polymer. The Tauc plot obtained from UV-Visible spectra has determined the optical band gap, 2.53 eV, which corroborates the semiconducting nature. Mn(II) center is coordinated by four carboxylate-O (one chelated carboxylate-O,O and two monodentate carboxylate-O), one H2O, and one -NH2 (of asp 2-) to constitute MnO5N distorted octahedral geometry. Bridging carboxylates constitute a 2D coordination polymer and have been assembled through strong noncovalent interactions to form a 3D supramolecular aggregate. The determination of various weak interactions in the compound is also supported by Hirshfeld surface analysis. The 3D assembly of compound 1 shows electrical conductivity in the semiconducting region (barrier height, 0.59 eV) and follows a non-ohmic relation (I α V 2 ), and the conductivity is 4.02 × 10 -4 Sm -1 which constitutes Schottky Diode Barrier.
Reduced graphene oxide (rGO) impregnated on Group 2 alkaline earth oxides (CaO, SrO, BaO) matrix ... more Reduced graphene oxide (rGO) impregnated on Group 2 alkaline earth oxides (CaO, SrO, BaO) matrix following mechanical mixing, thermal annealing and subsequent cold shock has yielded a new electrochemical material. Material characterization has been done by Fourier transform infrared spectroscopy, scanning electron microscopy and powder X-ray diffraction patterns in micrometer dimension. Thermal stability has been checked by thermal gravimetric analysis and differential scanning calorimetry. Cyclic voltammetry of the composites shows anodic peak potential in the order –0.6 V (rGO-CaO) < –0.4 V (rGO-SrO) < –0.3 V (rGO-BaO), which also follows the ordering of ionic size, Ca (100 pm) < Sr (118 pm) < Ba (135 pm). They exhibit unexpected inherent redox activity with an amazing chemical reversibility. This characteristic becomes more prominent on moving down the group. Thermal stability of these coupled systems also increases down the group.
Australian Journal of Chemistry, 2013
The synthesis and structural characterisation of novel imino cyclophanes incorporating various sp... more The synthesis and structural characterisation of novel imino cyclophanes incorporating various spacer units is described. All the imino cyclophanes exhibit comparable antibacterial activity against Gram positive (Bacillus subtillus, Staphylococcus aureus) and Gram negative (Escherchia coli, Klebsiella pneumonia) bacterial strains. The imino cyclophanes also exhibit good antifungal activity against human pathogenic fungus, Candida albicans.
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Papers by Chittaranjan Sinha