@article { ISI:000280204900018, title = {Structural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 {\textquoteleft}-bipyridine and a flexible carboxylic acid}, journal = {Crystengcomm}, volume = {12}, number = {8}, year = {2010}, month = {APR}, pages = {2381-2389}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of flexible metal-organic frameworks (MOFs) have been successfully synthesized under hydrothermal condition using 1,3-adamantanediacetic acid (C(14)H(20)O(4), H(2)ADA) as a flexible dicarboxylate building block, 4,4{\textquoteright}-bipyridine and transition metal ions [Cd(II), Zn(II), and Mn(II)] as metal centers in DMF and aqueous media. These MOFs formulated as [Cd(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4{\textquoteright}-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4{\textquoteright}-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4{\textquoteright}-bipy = 4,4{\textquoteright}-bipyridine and DMF = N,N{\textquoteright}-dimethyl formamide) display interesting 1D, 2D and 3D structural features depending on the solvent of synthesis. All these MOFs were structurally determined by single-crystal X-ray diffraction. The coordination modes of this ligand are discussed and in addition, thermal stability and hydrogen (H(2)) and carbon-dioxide (CO(2)) adsorption properties of Cd-ADA-1, Mn-ADA-1 and Zn-ADA-1 are also presented. Hydrogen sorption at 77 K and up to 1 atm is found to be 0.42, 0.72 and 1.36 wt\% without saturation for Zn-ADA-1, Mn-ADA-1 and Cd-ADA-1 samples.

}, issn = {1466-8033}, doi = {10.1039/c000723d}, author = {Pachfule, Pradip and Panda, Tamas and Dey, Chandan and Banerjee, Rahul} } @article { ISI:000275049800051, title = {Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid}, journal = {Crystal Growth \& Design}, volume = {10}, number = {3}, year = {2010}, month = {MAR}, pages = {1351-1363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new partially fluorinated metal-organic frameworks (F-MOFs) have been synthesized under different solvothermal conditions (H(2)O or N,N-dimethylformamide (DMF)) from transition metal cations [Zn(II), Co(II), and Mn(II)], 1,10-phenanthroline (phen), and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) to determine the influence of reaction conditions on the formation of metal-organic frameworks. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. Of the seven materials, two contain three-dimensional connectivity: Co(3)(hfbba)(6)(phen)(2) (F-MOF-6) and Mn(3)(hfbba)(6)(Phen)(2) (F-MOF-10). Three materials are one-dimensional structures: Zn(hfbba)(0.5)(phen)(HCO(2)) (F-MOF-8), Mn(Hhfbba)(2)(Phen) (F-MOF-11), and [Mn(hfbba)(2)(dm-phen)]center dot(H(2)O) (F-MOF-11A). Lastly, Co(hfbba)(phell)(2)center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-7) and Zn(hfbba)(phen)(2)center dot 2(H(2)hfbba) (H(2)O)-(HCO(2)) (F-MOF-9) are discrete zero-dimensional molecular complexes. F-MOF-6 and -10, which feature it three-dimensional (3D) framework with pcu topolgy are formed in DMF like F-MOF-8 and at 85 degrees C. The remaining F-MOFs are formed by a solvothermal reaction at 120 degrees C in water. F-MOF-7 and -9 are isostructural discrete zero-dimensional molecular complexes (a similar to 19.5; b similar to 13.7; c similar to 26.2/29.6 angstrom; beta similar to 99.9/120.04; V similar to 6840 angstrom(3)). All these F-MOFs were structurally determined by single-crystal X-ray diffraction. Solid-state properties such its UV-vis and the thermal stability of F-MOF-6 to -11A have also been studied. Insight into the factors influencing the preferred crystallization of a specific complex over others has been obtained from full quantum chemical (QM) calculations using density functional theory (DFT).

}, issn = {1528-7483}, doi = {10.1021/cg9013812}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Vanka, Kumar and Banerjee, Rahul} } @article { ISI:000277091700039, title = {Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)}, journal = {Crystengcomm}, volume = {12}, number = {5}, year = {2010}, month = {JAN}, pages = {1600-1609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2{\textquoteright}-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4{\textquoteright}-dime-2,2{\textquoteright}-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4{\textquoteright}-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1{\textquoteright}-phenanthroline; 2,2{\textquoteright}-bipy 2,2{\textquoteright}-bipyridine; 4,4{\textquoteright}dime-2,2{\textquoteright}-bipy 4,4{\textquoteright}-dimethyl 2,2{\textquoteright}-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.

}, issn = {1466-8033}, doi = {10.1039/b917483d}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Banerjee, Rahul} } @article { ISI:000295275200035, title = {Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character}, journal = {Chemical Communications}, volume = {47}, number = {39}, year = {2011}, month = {SEP}, pages = {11008-11010}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu-based double chain MOF was synthesized in hydrothermal conditions using an in situ ligand formation method. This double chain MOF shows temperature dependent ferromagnetic (long range ordering) and antiferromagnetic (intra double chain) coupling. The magnetic behaviour originating from the individual double chain remains almost same even after structural collapse due to the removal of guest water molecules.

}, issn = {1359-7345}, doi = {10.1039/c1cc13418c}, author = {Dey, Chandan and Das, Raja and Saha, Binoy Krishna and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000285735100021, title = {Structural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals}, journal = {Crystal Growth \& Design}, volume = {11}, number = {1}, year = {2011}, month = {JAN}, pages = {139-146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt \%) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt \%) uptake among the series when the adsorbate pressure approached 1 atm.

}, issn = {1528-7483}, doi = {10.1021/cg101201b}, author = {Dey, Chandan and Das, Raja and Pachfule, Pradip and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000297559200027, title = {Reversible phase transformation in proton conducting strandberg-type POM based metal organic material}, journal = {Chemical Communications}, volume = {48}, number = {2}, year = {2012}, month = {NOV}, pages = {266-268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu(II)-phenanthroline connected Strandberg-type polyoxometalate based proton conducting MOF, Cu3Mo5P2, that contains one dimensional parallel water channels has been reported. Cu3Mo5P2 shows proton conduction at room temperature as well as elevated temperature.

}, issn = {1359-7345}, doi = {10.1039/c1cc15162b}, author = {Dey, Chandan and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000298726300004, title = {Solid phase morphological diversity of a rare vanadium cubane (V4O16) based metal organic framework}, journal = {Crystal Growth \& Design}, volume = {12}, number = {1}, year = {2012}, month = {JAN}, pages = {12-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A Cu(II) connected V4O16-cubane based metal organic framework, Cu-2(phen)(2)(V4O8) (PO4)(4) [Cu2V4O16-2D] was synthesized under hydrothermal conditions. This is the first example of transition metal connected V4O16-cubane based MOF. X-ray single crystal data shows the alternate arrangement V4O16-cubane and Cu(phen)(O)(3) square pyramidal unit in two dimensions. These two-dimensional sheets are stacked on top of each other to form a three-dimensional architecture. Cu2V4O16-2D shows two types of solid state morphologies of the same phase, which was confirmed by scanning electron microscopy. It is noteworthy that this type of morphological difference of the solid phase in an extended metal organic hybrid material is rare and has not been perceived in the polyoxovanadate based MOFs literature. Cu2V4O16-2D was further characterized by powder X-ray diffraction (PXRD), thermal gravimetric analysis (TGA), IR-spectroscopy, scanning electron microscopy (SEM), and elemental analysis. We also studied the static magnetic and gas adsorption properties for Cu2V4O16-2D.

}, issn = {1528-7483}, doi = {10.1021/cg201030u}, author = {Dey, Chandan and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000321012900013, title = {Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF)}, journal = {Chemical Communications}, volume = {49}, number = {59}, year = {2013}, month = {JUN}, pages = {6617-6619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rare hybrid Metal-Oxide incorporated Zeolitic Imidazolate Framework, MOZIF-1, containing tetrahedral Zn(II) and Mo(VI) centres has been synthesized. MOZIF-1 can degrade methyl orange and orange II dyes under visible light. Na-3[PMo12O40] is the source of Mo(VI) in MOZIF-1.

}, issn = {1359-7345}, doi = {10.1039/c3cc42904k}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000316624600020, title = {POM-catalyzed in situ ligand synthesis for the construction of metal complexes and their use in the formation of coordination polymers}, journal = {Chemphyschem}, volume = {14}, number = {5}, year = {2013}, month = {APR}, pages = {1009-1015}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Six organicinorganic hybrid materials were synthesized by the in situ oxidation of neocuproine by using MoO3/Na2MoO4 as the catalyst in the presence of Cu(NO3)2. The crystal structures of Mo8-Cu4-PHEN and Mo8-Cu2-5(2PIC) are composed of [Mo8O26]4 polyoxometalate (POM) units, whereas the crystal structure of Mo6-Cu-COPHEN is composed of a [Mo6O19]2 POM unit; both POM units could be considered as the active form of the catalyst. Reaction of the hybrid materials with 1,3,5-benzenetricarboxylic acid (BTC) resulted in the formation of two different coordination polymers (CPs) under different reaction conditions. These CPs, depending on their structural attributes, exhibit distinct differences in the adsorption of H2, CO2, and water. The use of 2-methylpyridine instead of neocuproine does not give any oxidation products under the same reaction conditions due to the incorrect positioning of the methyl group with respect to the CuII center.

}, keywords = {coordination polymers, Copper, N ligands, organicinorganic hybrid composites, polyoxometalates}, issn = {1439-4235}, doi = {10.1002/cphc.201201019}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000330340200002, title = {Crystalline metal-organic frameworks (MOFs): synthesis, structure and function}, journal = {Acta Crystallographica Section B-Structural Science}, volume = {70}, number = {1, SI}, year = {2014}, month = {FEB}, pages = {3-10}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Metal-organic frameworks (MOFs) are a class of hybrid network supramolecular solid materials comprised of organized organic linkers and metal cations. They can display enormously high surface areas with tunable pore size and functionality, and can be used as hosts for a range of guest molecules. Since their discovery, MOFs have experienced widespread exploration for their applications in gas storage, drug delivery and sensing. This article covers general and modern synthetic strategies to prepare MOFs, and discusses their structural diversity and properties with respect to application perspectives.

}, issn = {0108-7681}, doi = {10.1107/S2052520613029557}, author = {Dey, Chandan and Kundu, Tanay and Biswal, Bishnu P. and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000329337000031, title = {Ligand-free one-step synthesis of {001} faceted semiconducting BiOCl single crystals and their photocatalytic activity}, journal = {Crystal Growth \& Design}, volume = {14}, number = {1}, year = {2014}, month = {JAN}, pages = {236-239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Herein, we report one-step ligand-free hydrothermal synthesis of predominantly {001}-faceted micron-sized single crystals of bismuth oxychloride (BiOCl). The structural chlorine is obtained by in situ generation of chloride ions. From Raman spectra, we could resolve the E-g transition. Photocatalytic activity of as-synthesized crystals showed 78\% degradation of RhB dye under a xenon source after 120 min of exposure.

}, issn = {1528-7483}, doi = {10.1021/cg4014366}, author = {Biswas, Anupam and Das, Raja and Dey, Chandan and Banerjee, Rahul and Poddar, Panka} } @article { ISI:000346189100095, title = {Phosphate enriched polyoxometalate based ionic salts for proton conduction}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2333-2337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of [NiMo12O30(PO4)(8)](n-) POM anion and organic cation based ionic composites have been prepared in hydrothermal conditions. The ionic composites with protonated ethylene diamine molecules have been tested for proton conductivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra07598f}, author = {Dey, Chandan and Kundu, Tanay and Aiyappa, Harshitha Barike and Banerjee, Rahul} } @article {47586, title = {Polyoxometalate clusters: inorganic ligands for functional materials}, journal = {Journal of Cluster Science}, volume = {33}, year = {2022}, month = {SEP}, type = {Review}, abstract = {

Research in polyoxometalates (POMs) is a diverse growing field with variations in application. POMs are consisting of metal ion and oxide. Peripheral oxides of POM can share spare electron pairs to behave as ligands. This property of POM was utilized for constructing coordination polymers (CPs), synthesizing transitional metal substituted POM for catalysis, synthesizing and stabilizing nano-particles, etc. POM connected structures have provided an opportunity of heterogenization of some homogeneous POM catalyst. Furthermore, diamagnetic POM ligands have been suitable for stabilizing and isolating magnetic ions inside clusters. The scope of this review is to summarize the role of POMs as ligands to prepare POM based CPs, synthesize and stabilize metal nano-particles and isolate magnetic ion or unit.

}, keywords = {Coordination polymer, Inorganic ligand, materials science, polyoxometalates, synthesis design}, issn = {1040-7278}, doi = {10.1007/s10876-021-02110-8}, author = {Dey, Chandan} }