An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Four lanthanide coordination polymers formulated as {[La3L9(H2O)3]EtOH·H2O}n1, {[Pr2L6(H2O)2]HL·H... more Four lanthanide coordination polymers formulated as {[La3L9(H2O)3]EtOH·H2O}n1, {[Pr2L6(H2O)2]HL·H2O}n2, {[Dy2L6(H2O)]0.5HL·H2O}n3 and {[Ho2L6(H2O)]0.5HL·H2O}n4 and HL=trans-2-butenoic acid have been synthesized from the corresponding pure lanthanide oxide and HL acid in water at pH 3. The compounds were characterized by chemical analysis, IR spectroscopy, thermogravimetry, variable-temperature magnetic susceptibility and single crystal X-ray diffraction studies. A common feature in these materials is the presence of
Acta Crystallographica Section C-crystal Structure Communications, Oct 15, 1995
ABSTRACT The crystal structure determination of N,N'-dicyclo-hexyldithiooxamide, C14H24N2... more ABSTRACT The crystal structure determination of N,N'-dicyclo-hexyldithiooxamide, C14H24N2S2, has confirmed the trans conformation for the molecule. The C-S and CN bond lengths indicate that the molecule consists of two coupled thioamide functions (S-C-N), where net delocalization of pi electrons occurs, bonded through a single C-C bond.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Acta Crystallographica Section C-crystal Structure Communications, May 15, 1998
The new heterobimetallic complex [{LaEu(oda) 3 (H 2 O)3.5H 2 O} n ] (oda = - O 2 CCH 2 OCH 2 CO 2... more The new heterobimetallic complex [{LaEu(oda) 3 (H 2 O)3.5H 2 O} n ] (oda = - O 2 CCH 2 OCH 2 CO 2 - ) has been synthesized and structurally characterized. Three tridentate oda ligands are coordinated to the smaller Eu III cation, while six adjacent outer carboxylate O atoms and three metal-bound water O atoms are bonded to the larger La III cation. The structure consists of a three-dimensional network with the metal centers bridged by oda carboxylate groups, with Eu...La separations of 6.95 (1) A.
Gaseous H–BF2 and D—BF2 were obtained by a new method of preparation. Analysis of high-resolution... more Gaseous H–BF2 and D—BF2 were obtained by a new method of preparation. Analysis of high-resolution ir spectra gave approximate values for the B–F distance (1.30±0.15 Å) and the F–B–F angle (120°±5°). Five of the six fundamentals were observed and assigned unambiguously: ν2 = 2620 and 1962 cm−1, B–H and B—D stretches; ν1 = 1166 and 1128 cm−1, 11B–F symmetric stretches in H–BF2 and D—BF2; ν3 = 545 and 540 cm−1, F–11B–F bending in H–BF2 and D—BF2; and ν4 = 1402, 1392, 1419 cm−1, 11B–F asymmetric stretches in H–BF2 and D—11BF2 and 10B–F stretch in D—10BF2, respectively; ν6 = 944, 924, 810, 790 cm−1, out-of-plane deformation in H–10BF2, H–11BF2, D—10BF2, and D—11BF2, respectively. The H–B–F bending appears to have a frequency ν5 = 1200 cm−1 for H–11BF2 and is estimated at 887 cm−1 for D—11BF2. A force-constant calculation was made, obtaining the following values (in millidynes per angstrom) : fD = 3.66, fd = 6.625, fd′ = 0.725, fDd = 0.37, fr = 0.772.
Three new lanthanide oxydiacetate compounds have been prepared and their structures determined by... more Three new lanthanide oxydiacetate compounds have been prepared and their structures determined by single crystal X-ray methods: {[Ln2(oda)3(H2O)2]·5H2O}n (Ln=Eu, Gd) and [Eu(oda)(Hoda)(H2O)]·2H2O. The former are orthorhombic and Ama2, with LnO8 and LnO9 cores bridged by anti–anti carboxylate ligands and the latter is mononuclear containing a EuO9 core. Luminescence spectra of the europium complexes in the solid state are presented.
Four newlanthanide oxydiacetates [{Y(Hoda)3}·H2oda·H2O] (1), [{Y2(oda)3(H2O)4·2H2O}n] (2), [{LaGd... more Four newlanthanide oxydiacetates [{Y(Hoda)3}·H2oda·H2O] (1), [{Y2(oda)3(H2O)4·2H2O}n] (2), [{LaGd(oda)3(H2O)3·6H2O}n] (3) and [{LaY (oda)3(H2O)3·6H2O}n] (4) (oda = O2CCH2OCH2CO2) have been synthesized and their structures determined by singlecrystal X-ray methods. Compound 1 is monometallic with distorted YO9 units formed via coordination of three tridentate Hoda ligands. Compound 2 consists of polymeric sheets of YO9 units formed via coordination of three tridentate oda ligands
The dinuclear copper(II) complex [Cu(tda)(phen)]2·H2tda (tda=thiodiacetate; phen=1,10-phenanthrol... more The dinuclear copper(II) complex [Cu(tda)(phen)]2·H2tda (tda=thiodiacetate; phen=1,10-phenanthroline) has been prepared and characterized by single crystal X-ray diffraction. The dimer shows a strictly planar CuO2Cu ring involving monoatomic O-carboxylates in the bridging mode with each copper weakly bonded to a thioether in a distorted octahedral N2O3S environment. Variable temperature susceptibility measurements reveal the existence of weak ferromagnetic interactions within the dimer,
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Four lanthanide coordination polymers formulated as {[La3L9(H2O)3]EtOH·H2O}n1, {[Pr2L6(H2O)2]HL·H... more Four lanthanide coordination polymers formulated as {[La3L9(H2O)3]EtOH·H2O}n1, {[Pr2L6(H2O)2]HL·H2O}n2, {[Dy2L6(H2O)]0.5HL·H2O}n3 and {[Ho2L6(H2O)]0.5HL·H2O}n4 and HL=trans-2-butenoic acid have been synthesized from the corresponding pure lanthanide oxide and HL acid in water at pH 3. The compounds were characterized by chemical analysis, IR spectroscopy, thermogravimetry, variable-temperature magnetic susceptibility and single crystal X-ray diffraction studies. A common feature in these materials is the presence of
Acta Crystallographica Section C-crystal Structure Communications, Oct 15, 1995
ABSTRACT The crystal structure determination of N,N'-dicyclo-hexyldithiooxamide, C14H24N2... more ABSTRACT The crystal structure determination of N,N'-dicyclo-hexyldithiooxamide, C14H24N2S2, has confirmed the trans conformation for the molecule. The C-S and CN bond lengths indicate that the molecule consists of two coupled thioamide functions (S-C-N), where net delocalization of pi electrons occurs, bonded through a single C-C bond.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Acta Crystallographica Section C-crystal Structure Communications, May 15, 1998
The new heterobimetallic complex [{LaEu(oda) 3 (H 2 O)3.5H 2 O} n ] (oda = - O 2 CCH 2 OCH 2 CO 2... more The new heterobimetallic complex [{LaEu(oda) 3 (H 2 O)3.5H 2 O} n ] (oda = - O 2 CCH 2 OCH 2 CO 2 - ) has been synthesized and structurally characterized. Three tridentate oda ligands are coordinated to the smaller Eu III cation, while six adjacent outer carboxylate O atoms and three metal-bound water O atoms are bonded to the larger La III cation. The structure consists of a three-dimensional network with the metal centers bridged by oda carboxylate groups, with Eu...La separations of 6.95 (1) A.
Gaseous H–BF2 and D—BF2 were obtained by a new method of preparation. Analysis of high-resolution... more Gaseous H–BF2 and D—BF2 were obtained by a new method of preparation. Analysis of high-resolution ir spectra gave approximate values for the B–F distance (1.30±0.15 Å) and the F–B–F angle (120°±5°). Five of the six fundamentals were observed and assigned unambiguously: ν2 = 2620 and 1962 cm−1, B–H and B—D stretches; ν1 = 1166 and 1128 cm−1, 11B–F symmetric stretches in H–BF2 and D—BF2; ν3 = 545 and 540 cm−1, F–11B–F bending in H–BF2 and D—BF2; and ν4 = 1402, 1392, 1419 cm−1, 11B–F asymmetric stretches in H–BF2 and D—11BF2 and 10B–F stretch in D—10BF2, respectively; ν6 = 944, 924, 810, 790 cm−1, out-of-plane deformation in H–10BF2, H–11BF2, D—10BF2, and D—11BF2, respectively. The H–B–F bending appears to have a frequency ν5 = 1200 cm−1 for H–11BF2 and is estimated at 887 cm−1 for D—11BF2. A force-constant calculation was made, obtaining the following values (in millidynes per angstrom) : fD = 3.66, fd = 6.625, fd′ = 0.725, fDd = 0.37, fr = 0.772.
Three new lanthanide oxydiacetate compounds have been prepared and their structures determined by... more Three new lanthanide oxydiacetate compounds have been prepared and their structures determined by single crystal X-ray methods: {[Ln2(oda)3(H2O)2]·5H2O}n (Ln=Eu, Gd) and [Eu(oda)(Hoda)(H2O)]·2H2O. The former are orthorhombic and Ama2, with LnO8 and LnO9 cores bridged by anti–anti carboxylate ligands and the latter is mononuclear containing a EuO9 core. Luminescence spectra of the europium complexes in the solid state are presented.
Four newlanthanide oxydiacetates [{Y(Hoda)3}·H2oda·H2O] (1), [{Y2(oda)3(H2O)4·2H2O}n] (2), [{LaGd... more Four newlanthanide oxydiacetates [{Y(Hoda)3}·H2oda·H2O] (1), [{Y2(oda)3(H2O)4·2H2O}n] (2), [{LaGd(oda)3(H2O)3·6H2O}n] (3) and [{LaY (oda)3(H2O)3·6H2O}n] (4) (oda = O2CCH2OCH2CO2) have been synthesized and their structures determined by singlecrystal X-ray methods. Compound 1 is monometallic with distorted YO9 units formed via coordination of three tridentate Hoda ligands. Compound 2 consists of polymeric sheets of YO9 units formed via coordination of three tridentate oda ligands
The dinuclear copper(II) complex [Cu(tda)(phen)]2·H2tda (tda=thiodiacetate; phen=1,10-phenanthrol... more The dinuclear copper(II) complex [Cu(tda)(phen)]2·H2tda (tda=thiodiacetate; phen=1,10-phenanthroline) has been prepared and characterized by single crystal X-ray diffraction. The dimer shows a strictly planar CuO2Cu ring involving monoatomic O-carboxylates in the bridging mode with each copper weakly bonded to a thioether in a distorted octahedral N2O3S environment. Variable temperature susceptibility measurements reveal the existence of weak ferromagnetic interactions within the dimer,
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