01933nas a2200193 4500008004100000022001400041245012000055210006900175260011000244300001400354490000700368520114000375100002001515700002001535700002101555700001501576700002001591856012801611 2010 eng d a0959-942800aSelective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites0 aSelective CO2 and H2 adsorption in a chiral magnesiumbased metal aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcSEP a9073-90800 v203 a

A rare porous magnesium-based metal-organic framework, Mg-MOF-1 [Mg(3,5-PDC)(H2O)], was synthesized solvothermally in DMF. Structural determination by X-ray single-crystal diffraction technique reveals that this chiral MOF (space group P6(1)22) is constructed by helical assembly of Mg2+ ions with achiral 3,5-pyridine dicarboxylates and coordinating water molecules, to form a three-dimensional framework with parallel hexagonal channels. The structural detail of its 0D analogue Mg-MOF-2 [Mg(2,4-PDC)(H2O)(3)] has been discussed to show how subtle variation in the ligand architecture changes the resulting structure from 0D to 3D. Mg-MOF-1 remains robust and porous upon evacuation of the coordinating water molecules. This is the first report of a chiral hexagonal Mg-MOF synthesized from an achiral organic building unit. Open Mg metal sites show selective hydrogen (H-2) adsorption (ca. 0.8 wt% at 77 K) and carbon dioxide (CO2) uptake (ca. 0.7 mmol g(-1) at 298 K) over nitrogen at 1 atm. Ab initio quantum chemical calculation of adsorption energies and possible adsorption sites of hydrogen molecules are also reported.

1 aMallick, Arijit1 aSaha, Subhadeep1 aPachfule, Pradip1 aRoy, Sudip1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/selective-co2-and-h-2-adsorption-chiral-magnesium-based-metal-organic-framework-mg-mof-001988nas a2200181 4500008004100000022001400041245016000055210006900215260011000284300001400394490000700408520118800415100002101603700001701624700001701641700002001658856012801678 2010 eng d a1466-803300aStructural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 `-bipyridine and a flexible carboxylic acid0 aStructural diversity in a series of metalorganic frameworks MOFs aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcAPR a2381-23890 v123 a

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'-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'-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4'-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4'-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4'-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4'-bipy = 4,4'-bipyridine and DMF = N,N'-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.

1 aPachfule, Pradip1 aPanda, Tamas1 aDey, Chandan1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-diversity-series-metal-organic-frameworks-mofs-composed-divalent-transition-002718nas a2200193 4500008004100000022001400041245017700055210006900232260007100301300001400372490000700386520191400393100002102307700001702328700001702345700001702362700002002379856012502399 2010 eng d a1528-748300aStructural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid0 aStructural diversity in partially fluorinated metal organic fram a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR a1351-13630 v103 a

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'-(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).

1 aPachfule, Pradip1 aDey, Chandan1 aPanda, Tamas1 aVanka, Kumar1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-diversity-partially-fluorinated-metal-organic-frameworks-f-mofs-composed-001507nas a2200181 4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520078300339100002101122700001401143700001901157700002001176856012901196 2010 eng d a1528-748300aStructural, magnetic, and gas adsorption study of a two-dimensional tetrazole-pyrimidine based metal-organic framework0 aStructural magnetic and gas adsorption study of a twodimensional a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2475-24780 v103 a

A new two-dimensional (2D) metal-organic framework, Cu-TP-1, has been synthesized under solvothermal conditions (DMF) from the transition metal cation Cu(II) and 2-tetrazole pyrimidine (C5H5N6, H-TP). The structure has been determined by single crystal X-ray crystallography which shows a (6,3) honeycomb 2D net with perpendicular one-dimensional channels. Permanent porosity of Cu-TP-1 has been determined by the nitrogen adsorption isotherm. Cu-TP-1 show interesting H-2 and CO2 uptake. CO2 uptake of Cu-TP-1 (at 298 K, 1 atm pressure) is seen to be comparable to the recently reported ZIF-95 which outperforms ZIF-100 and BPL carbon. The magnetic properties show an antiferromagnetically coupled Cu ... Cu interaction down to 8 K with a Weiss temperature around 108 K.

1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-magnetic-and-gas-adsorption-study-two-dimensional-tetrazole-pyrimidine-based-002521nas a2200181 4500008004100000022001400041245009900055210006900154260011000223300001400333490000700347520177900354100002102133700001702154700001702171700002002188856013102208 2010 eng d a1466-803300aSynthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)0 aSynthesis and structural comparisons of five new fluorinated met aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN a1600-16090 v123 a

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'-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4'-dime-2,2'-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'-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1'-phenanthroline; 2,2'-bipy 2,2'-bipyridine; 4,4'dime-2,2'-bipy 4,4'-dimethyl 2,2'-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.

1 aPachfule, Pradip1 aDey, Chandan1 aPanda, Tamas1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/synthesis-and-structural-comparisons-five-new-fluorinated-metal-organic-frameworks-f-mofs-002095nas a2200229 4500008004100000022001400041245009200055210006900147260007100216300001600287490000800303520124300311100002201554700002001576700002001596700002001616700002101636700002401657700002901681700002901710856012601739 2011 eng d a1932-744700aSelectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts0 aSelectivity tailoring in liquid phase oxidation over MWNTMn3O4 n a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG a15440-154480 v1153 a

Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.

1 aBiswal, Mandakini1 aDhas, Vivek, V.1 aMate, Vivek, R.1 aBanerjee, Abhik1 aPachfule, Pradip1 aAgrawal, Kanika, L.1 aOgale, Satishchandra, B.1 aRode, Chandrashekhar, V. uhttps://library.ncl.res.in/content/selectivity-tailoring-liquid-phase-oxidation-over-mwnt-mn3o4-nanocomposite-catalysts-002511nas a2200181 4500008004100000022001400041245013100055210006900186260007100255300001400326490000700340520177900347100002102126700001402147700001902161700002002180856012902200 2011 eng d a1528-748300aSolvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link0 aSolvothermal synthesis structure and properties of metal organic a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR a1215-12220 v113 a

Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4'-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.

1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/solvothermal-synthesis-structure-and-properties-metal-organic-framework-isomers-derived-001368nas a2200205 4500008004100000022001400041245010800055210006900163260010200232300001200334490000800346520054500354653001600899653002100915653002900936653002600965100002100991700002001012856013001032 2011 eng d a0011-389100aStructural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework0 aStructural and gas adsorption study of a twodimensional copperte aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScOCT a894-8990 v1013 a

A new two-dimensional (2D) metal organic framework, Cu-1(4-TBA)(1)(DMBP)(1).DMF (Cu-TBA-3), has been synthesized under solvothermal condition from transition metal cation Cu(II), predesigned ligand 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and coligand 4,4'-dimethy1-2,2'-bipyridine (DMBP). The structure has been determined by single crystal X-ray crystallography which shows layered 2D structure with square shaped one-dimensional channels. Cu-TBA-3 shows 0.69 wt% H-2 (at 77 K, 1 atm) and 1.65 mmol/g CO2 (at 298 K, 1 atm) uptake.

10aCO2 capture10aHydrogen storage10ametal-organic frameworks10amicroporous materials1 aPachfule, Pradip1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-and-gas-adsorption-study-two-dimensional-copper-tetrazole-based-metal-organic-002006nas a2200193 4500008004100000022001400041245013000055210006900185260007100254300001200325490000700337520124800344100001701592700001401609700002101623700001901644700002001663856012901683 2011 eng d a1528-748300aStructural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals0 aStructural and selective gas adsorption studies of polyoxometala a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a139-1460 v113 a

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.

1 aDey, Chandan1 aDas, Raja1 aPachfule, Pradip1 aPoddar, Pankaj1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-and-selective-gas-adsorption-studies-polyoxometalate-and-trisethylenediamine-002047nas a2200253 4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520110900339653001901448653001701467653002101484653002801505653002501533100002101558700001601579700002701595700001901622700002001641856013201661 2011 eng d a0897-475600aStructural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks0 aStructural isomerism and effect of fluorination on gas adsorptio a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN a2908-29160 v233 a

Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt % H-2, while Cu-TBA-2F adsorbs 0.67 wt % at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.

10aCO2 adsorption10afluorination10aHydrogen storage10aMetal-organic framework10astructural isomerism1 aPachfule, Pradip1 aChen, Yifei1 aSahoo, Subash, Chandra1 aJiang, Jianwen1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-isomerism-and-effect-fluorination-gas-adsorption-copper-tetrazolate-based-metal-002015nas a2200181 4500008004100000022001400041245012300055210006900178260007100247300001400318490000700332520129100339100002101630700001401651700001901665700002001684856012901704 2011 eng d a0020-166900aStructural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)0 aStructural magnetic and gas adsorption study of a series of part a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY a3855-38650 v503 a

Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4'-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.

1 aPachfule, Pradip1 aDas, Raja1 aPoddar, Pankaj1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structural-magnetic-and-gas-adsorption-study-series-partially-fluorinated-metal-organic-002010nas a2200193 4500008004100000022001400041245009200055210006900147260007100216300001400287490000700301520128800308100002001596700002001616700002101636700001501657700002001672856012401692 2011 eng d a0020-166900aStructure and gas sorption behavior of a new three dimensional porous magnesium formate0 aStructure and gas sorption behavior of a new three dimensional p a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB a1392-14010 v503 a

A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt % when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt %). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.

1 aMallick, Arijit1 aSaha, Subhadeep1 aPachfule, Pradip1 aRoy, Sudip1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/structure-and-gas-sorption-behavior-new-three-dimensional-porous-magnesium-formate-002210nas a2200181 4500008004100000245020300041210006900244260000800313300001200321490000600333520144100339100002701780700002401807700002101831700002101852700002301873856013201896 2014 eng d00aSyntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(II) and Ni(II) based on benzenedicarboxylate and linear N,N `-donor Schiff base linkers0 aSyntheses Xray structures catalytic activity and magnetic proper cAPR a414-4250 v13 a

{Two isostructural coordination polymers based on Co(II) and Ni(II), {[M(azpy)(3)(p-bdc)(2)(H2O)(4)]center dot(CH3OH)(2)(H2O)(3)}(n) [where M = Co (1) and Ni (2); azpy = N,N'-bis-pyridin-4-ylmethylene-hydrazine and p-bdc = 1,4-benzenedicarboxylate], have been synthesized using mixed ligand systems at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that both the complexes crystallize in the monoclinic space group C2/c and exhibit one-dimensional (1D) ladder like structures constructed by p-bdc and azpy ligands in which Schiff base (azpy) linkers serve as a bridging as well as pendent ligands. These pendent ligands are involved in H-bonding and pi-pi interactions with lattice water, methanol molecules and bridging azpy ligands, to form the 3D supramolecular structure. Notably, both the frameworks efficiently catalyze the Knoevenagel condensation reactions of a wide range of substituted benzaldehydes with active methylene compounds in heterogeneous medium under environmentally friendly conditions and the products were obtained in excellent yields. These catalysts were also found to exhibit excellent recyclability and re-usability without any significant loss of activity. A variable temperature magnetic study of both compounds was carried out and their magnetic properties justified on the basis of their crystal structure.

1 aBhattacharya, Biswajit1 aMaity, Dilip, Kumar1 aPachfule, Pradip1 aColacio, Enrique1 aGhoshal, Debajyoti uhttps://library.ncl.res.in/content/syntheses-x-ray-structures-catalytic-activity-and-magnetic-properties-two-new-coordination-0