@article { ISI:000256501000031, title = {Hydrogen bonding-directed metallosupramolecular structural motifs based on a peripheral urea fused bipyridine tecton}, journal = {Crystal Growth \& Design}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The potential of bipyridine glycoluril (BPG), a urea fused bipyridine, tecton to form metal-organic frameworks (MOFs) has been explored by structural characterization of BPG and its complexes [Ru(phen)(BPG)(2)]Cl(2) (1) and [Ru(BPG)(3)]Cl(2) (2). The single crystal X-ray structure of BPG reveals that the inherent H-bond donor (N-H) and acceptor groups (C=O) exhibit a potential to generate diverse supramolecular motifs depending on the stoichiometry of tectons. The single crystal X-ray analysis of the secondary building units 1 and 2 provide evidence for this hydrogen-bonding capacity which results in supramolecular self-assembled metal-organic frameworks (MOF) via C-H center dot center dot center dot Cl, C-H.center dot center dot center dot O, N-H center dot center dot center dot Cl, and N-H center dot center dot center dot O interactions with a cluster of water molecules and chlorine anions surrounding secondary building units in I and channels encapsulating mixed water-dimethylsulfoxide clusters in 2.

}, issn = {1528-7483}, doi = {10.1021/cg8000015}, author = {Deshpande, Megha S. and Kumbhar, Avinash S. and Puranik, Vedavati G.} } @article { ISI:000259922200004, title = {Tetranuclear manganese (III) salicylaldoxime ensemble}, journal = {Structural Chemistry }, volume = {19}, number = {5}, year = {2008}, month = {OCT}, pages = {735-740}, type = {Article}, abstract = {Crystal structure of {[Mn(salicylaldoximeH)(salicylaldoxime)](4)} center dot 3CHCl(3) 1 formed by the interaction of MnCl2 center dot 4H(2)O and salicylaldoxime in a 1:1 ratio is described. The compound crystallizes in the orthorhombic space group Pbca (No 61) with the lattice parameters; a = 27.769 (3), b = 22.672 (2), c = 21.650 (2) angstrom, V = 13630 (2) angstrom(3), Z = 8, R-1 = 0.0776, wR(2) = 0.2356, S = 1.164. The cluster with four Mn (III) centers formed by four terminal and four bridging salicylaldoxime ligands results in a central rotating wheel-like core with the Mn-Mn separation varying from 3.531 to 3.576 angstrom and with the diagonal distances being 4.156-4.165 angstrom. Four intramolecular H-bonds between a terminal oxime (NOH) group and the adjacent phenolate oxygen atom of another ligand stabilize the structure of the cluster. Spectral, magnetic, and cyclic voltammetry studies corroborate a stable Mn (III) tetramer.}, author = {Kumbhar, Avinash S. and Mulay, Mahesh P. and Padhye, Subhash B. and Tavale, Sudam S. and Puranik, Vedavati G.} } @article { ISI:000255339600033, title = {Unexpected metal-promoted transformation yields an anthrylmethyl spiroanthracene}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {9}, year = {2008}, month = {MAY}, pages = {3559-3561}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The isolation and characterization of an unusual spiroanthracene, from the reaction of bisdichlororuthenium(II)bi-pyridine dihydrate with 3-(9-anthrylmethyl)pentane-2,4-dione (AMPD), is reported. This metal-promoted formation of spiroanthracene has been obtained for the first time during the synthesis of metal complexes.

}, issn = {0022-3263}, doi = {10.1021/jo702284t}, author = {Kumbhar, Anupa A. and Kumbhar, Avinash S. and Puranik, Vedavati G.} } @article { ISI:000293693200004, title = {Hydrogen bond directed honeycomb-like porous network structure of tris (bipyridyl-glycoluril)cobalt(III) chloride}, journal = {Crystengcomm}, volume = {13}, number = {17}, year = {2011}, month = {JUL}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The [Co(bpg)3]Cl-3 complex (1), where bpg = 4b, 5, 7, 7a-tetrahydro4b,7a-epiminomethan-oimino-6H-imidazo [4,5-f][1,10]-phenanthroline-6,13-dione has been synthesized and characterized by various spectroscopic techniques and single crystal X-ray diffraction. The combination of bipyridyl-glycoluril (bpg) ligands and cobalt ion self-organise to form a honeycomb-like porous network structure resulting in the formation of zeolite like channels which adsorb gases, is described.

}, issn = {1466-8033}, doi = {10.1039/c1ce05376k}, author = {Kawade, Vitthal A. and Kumbhar, Avinash S. and Erxleben, Andrea and Pachfule, Pradip and Banerjee, Rahul} } @article {43654, title = {Proton conduction in a hydrogen-bonded complex of copper(II)-bipyridine glycoluril nitrate}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {JUN}, pages = {6968-6974}, abstract = {Bipyridine glycoluril (BPG), a urea-fused bipyridine tecton, forms a square-pyramidal secondary building unit with copper(II) which further self-assembles to give a porous hydrogen-bonded complex. This complex displays a high proton conductivity of 4.45 x 10(-3) S cm(-1) at 90 degrees C and 95\% relative humidity (RH). Chains consisting of coordinated water, solvent water and nitrate anions embedded in the complex are responsible for high proton conduction. The proton conduction pathway was corroborated by ab initio electronic structure calculations with molecular dynamics (MD) simulations using the Nudged Elastic Band (NEB) method. The theoretical activation energy estimated to be 0.18 eV is in close agreement with the experimental value of 0.15 eV which evidences a Grotthuss proton hopping mechanism. We thus demonstrate that the hydrogen-bonded complex encapsulating appropriate counter ions, coordinated water and solvent water molecules exhibts superprotonic conductivity.}, doi = {10.1039/c7dt00425g}, author = {Tayade, Sakharam B. and Dhavale, Vishal M. and Kumbhar, Avinash S. and Kurungot, Sreekumar and Loennecke, Peter and Hey-Hawkins, Evamarie and Pujari, Bhalchandra} } @article {44587, title = {Modern trends in inorganic chemistry: celebration of inorganic chemistry in India}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {JUL}, pages = {Article Number: UNSP 75}, doi = {10.1007/s12039-018-1499-z}, author = {Chikkali, Samir H. and Anand, Venkataramanarao G. and Srinivas, Darbha and Kumbhar, Avinash S.} } @article {44425, title = {Water mediated proton conductance in a hydrogen-bonded Ni(II)-bipyridine-glycoluril chloride self-assembled framework}, journal = {CrystEngComm}, volume = {20}, year = {2018}, month = {JAN}, pages = {1094-1100}, type = {Journal Article}, abstract = {

Proton conducting properties have been investigated in a new Ni(II)-based hydrogen-bonded porous framework synthesized using a urea-fused bipyridine-glycoluril (BPG) tecton. This hydrogen-bonded self-assembled structure encapsulates water molecules in the channels with hydrogen-bonding networks which exhibits a significant temperature dependent proton conductance of 1.5 \× 10\−4\ S cm\−1\ at 95 \°C and 95\% RH with a low activation energy (Ea) of 0.54 eV, implying a Grotthuss proton hopping mechanism mediated by hydrogen-bonded water molecules in the channels. In addition, this framework exhibited a very high water uptake under humid conditions. A continuous array of water molecules and chloride ions embedded in the highly hydrophilic porous channels of the hydrogen-bonded framework acts as the proton conducting medium.

}, issn = {14668033}, doi = {10.1039/c7ce01814b}, author = {Tayade, Sakharam B. and Bhat, Satish S. and Illathvalappil, Rajith and Dhavale, Vishal M. and Kawade,Vitthal A. and Kumbhar, Avinash S. and Kurungot, Sreekumar and N{\"a}ther, Christian} } @article {46208, title = {A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {11034-11044}, type = {Article}, abstract = {

Proton conduction ability has been investigated in a new Cu(ii) based coordination polymer (CP), {[Cu-2(sba)(2)(bpg)(2)(H2O)(3)]center dot 5H(2)O}(n) (1), synthesized using the combination of 4-sulfobenzoic acid (4-Hsba) and bipyridine-glycoluril (BPG) ligands. Single crystal X-ray structure determination revealed that 1 features 1D porous channels encapsulating a continuous array of water molecules. Proton conductivity measurements reveal a high conductivity value of 0.94 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH. The activation energy (E-a) of 0.64 eV demonstrates that the solvate water, coordinated water and hydrophilic groups in the channels promote the mobility of protons in the framework. Water sorption measurements exhibited hysterical behaviour with a high uptake value of 379.07 cm(3) g(-1). Time-dependent measurements revealed that the proton conductivity is retained even after 12 h of measurements. The proton conduction mechanism was validated by ab initio electronic structure calculations using the Nudged Elastic Band (NEB) method with molecular dynamics (MD) simulation studies. The theoretical activation energy is calculated to be 0.54 eV which is in accordance with the experimental value.

}, doi = {10.1039/c9dt01983a}, author = {Tayade, Sakharam B. and Illathvalappil, Rajith and Lapalikar, Vaidehi and Markad, Datta and Kurungot, Sreekumar and Pujari, Bhatchandra and Kumbhar, Avinash S.} } @article {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {

{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine

}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} }