Search Results - "Bolvin, Helene"

Bonding and Magnetic Trends in the [AnIII(DPA)3]3– Series Compared to the Ln(III) and An(IV) Analogues by Islam, Md. Ashraful, Berthon, Claude, Jung, Julie, Bolvin, Hélène

“…The crystal field parameters are determined from first-principles calculations in the [AnIII(DPA)3]3– series, completing previous work on the [LnIII(DPA)3]3–…”
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Metal-Based Linear Light Upconversion Implemented in Molecular Complexes: Challenges and Perspectives by Bolvin, Hélène, Fürstenberg, Alexandre, Golesorkhi, Bahman, Nozary, Homayoun, Taarit, Inès, Piguet, Claude

“…Conspectus The piling up of low-energy photons to produce light beams of higher energies while exploiting the nonlinear optical response of matter was…”
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An Alternative Approach to the g‐Matrix: Theory and Applications by Bolvin, Hélène

“…10.1002/cphc.200600051.absStarting from the formula proposed by Gerloch and McMeeking in 1975, the electronic g‐matrix is expressed as a sum of two matrices…”
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Magnetic Memory Effect in a Transuranic Mononuclear Complex by Magnani, Nicola, Apostolidis, Christos, Morgenstern, Alfred, Colineau, Eric, Griveau, Jean-Christophe, Bolvin, Hélène, Walter, Olaf, Caciuffo, Roberto

“…Selective memory: Using actinides in designing molecular nanomagnets could provide better performance and higher anisotropy barriers, owing to the peculiar…”
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Analysis of the Magnetic Coupling in a Mn(II)‐U(V)‐Mn(II) Single Molecule Magnet by Dey, Sourav, Rajaraman, Gopalan, Bolvin, Hélène

“…[{Mn(TPA)I}{UO2(Mesaldien)}{Mn(TPA)I}]I formula (here TPA=tris(2‐pyridylmethyl)amine and Mesaldien=N,N’‐(2‐aminomethyl)diethylenebis(salicylidene imine))…”
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Paramagnetic Properties of [AnIV(NO3)6]2− Complexes (An = U, Np, Pu) Probed by NMR Spectroscopy and Quantum Chemical Calculations by Autillo, Matthieu, Illy, Marie-Claire, Briscese, Luca, Islam, Md. Ashraful, Bolvin, Hélène, Berthon, Claude

“…Actinide +IV complexes with six nitrates [AnIV(NO3)6]2− (An = Th, U, Np, and Pu) have been studied by 15N and 17O NMR spectroscopy in solution and…”
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Magnetic Resonance Properties of Actinyl Carbonate Complexes and Plutonyl(VI)-tris-nitrate by Gendron, Frédéric, Pritchard, Ben, Bolvin, Hélène, Autschbach, Jochen

“…Electronic structures and magnetic properties of actinyl ions AnO2 n+ (An = U, Np, and Pu) and the equatorially coordinated carbonate complexes [UO2(CO3)3]5–,…”
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Are Actinyl Cations Good Probes for Structure Determination in Solution by NMR? by Islam, Md. Ashraful, Autillo, Matthieu, Poulin-Ponnelle, Clovis, Tamain, Christelle, Bolvin, Hélène, Berthon, Claude

“…We report on NMR spectroscopy, CAS-based method calculations, and X-ray diffraction of AnV and AnVI complexes with a neutral and slightly flexible TEDGA…”
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Dipolar and Contact Paramagnetic NMR Chemical Shifts in AnIV Complexes with Dipicolinic Acid Derivatives by Islam, Md. Ashraful, Autillo, Matthieu, Guérin, Laetitia, Tamain, Christelle, Moisy, Philippe, Bolvin, Hélène, Berthon, Claude

“…Actinide +IV complexes (AnIV = ThIV, UIV, NpIV, and PuIV) with two dipicolinic acid derivatives (DPA and Et-DPA) have been studied by 1H and 13C NMR…”
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Structural and Electronic Dependence of the Single-Molecule-Magnet Behavior of Dysprosium(III) Complexes by Campbell, Victoria E, Bolvin, Hélène, Rivière, Eric, Guillot, Regis, Wernsdorfer, Wolfgang, Mallah, Talal

“…We investigate and compare the magnetic properties of two isostructural DyIII-containing complexes. The DyIII ions are chelated by hexadentate ligands and…”
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Paramagnetism of Aqueous Actinide Cations. Part II: Theoretical Aspects and New Measurements on An(IV) by Autillo, Matthieu, Guerin, Laetitia, Guillaumont, Dominique, Moisy, Philippe, Bolvin, Hélène, Berthon, Claude

“…The magnetic properties of actinide­(IV) (An­(IV)) cations are investigated in various solutions (HClO4, HCl, and HNO3) by the Evans NMR method. The magnetic…”
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Crystal Field in Rare‐Earth Complexes: From Electrostatics to Bonding by Alessandri, Riccardo, Zulfikri, Habiburrahman, Autschbach, Jochen, Bolvin, Hélène

“…The flexibility of first‐principles (ab initio) calculations with the SO‐CASSCF (complete active space self‐consistent field theory with a treatment of the…”
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Derivation of Lanthanide Series Crystal Field Parameters From First Principles by Jung, Julie, Islam, M. Ashraful, Pecoraro, Vincent L., Mallah, Talal, Berthon, Claude, Bolvin, Hélène

“…Two series of lanthanide complexes have been chosen to analyze trends in the magnetic properties and crystal field parameters (CFPs) along the two series: The…”
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Magnetic Properties and Electronic Structure of Neptunyl(VI) Complexes: Wavefunctions, Orbitals, and Crystal-Field Models by Gendron, Frédéric, Páez-Hernández, Dayán, Notter, François-Paul, Pritchard, Ben, Bolvin, Hélène, Autschbach, Jochen

“…The electronic structure and magnetic properties of neptunyl(VI), NpO22+, and two neptunyl complexes, [NpO2(NO3)3]− and [NpO2Cl4]2−, were studied with a…”
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Magnetic Coupling in the Ce(III) Dimer Ce-2(COT)(3) by Gendron, Frédéric, Autschbach, Jochen, Malrieu, Jean-Paul, Bolvin, Hélène

“…The monomer [Ce(COT)] and the dimer [Ce(COT)], with Ce(III) and COT = 1,3,5,7-cyclooctatetraenide, are studied by quantum chemistry calculations. Due to the…”
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Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2 derivative by Chow, Chun Y, Bolvin, Hélène, Campbell, Victoria E, Guillot, Régis, Kampf, Jeff W, Wernsdorfer, Wolfgang, Gendron, Frédéric, Autschbach, Jochen, Pecoraro, Vincent L, Mallah, Talal

“…We report here the synthesis and the investigation of the magnetic properties of a series of binuclear lanthanide complexes belonging to the metallacrown…”
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Symmetry and Rigidity for Boosting Erbium‐Based Molecular Light‐Upconversion in Solution by Naseri, Soroush, Taarit, Inès, Bolvin, Hélène, Bünzli, Jean‐Claude, Fürstenberg, Alexandre, Guénée, Laure, Le‐Hoang, Giau, Mirzakhani, Mohsen, Nozary, Homayoun, Rosspeintner, Arnulf, Piguet, Claude

“…Previously limited to highly symmetrical homoleptic triple‐helical complexes [Er(Lk)3]3+, where Lk are polyaromatic tridentate ligands, single‐center…”
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Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy 2 derivative by Chow, Chun Y, Bolvin, Hélène, Campbell, Victoria E, Guillot, Régis, Kampf, Jeff W, Wernsdorfer, Wolfgang, Gendron, Frédéric, Autschbach, Jochen, Pecoraro, Vincent L, Mallah, Talal

“…We report here the synthesis and the investigation of the magnetic properties of a series of binuclear lanthanide complexes belonging to the metallacrown…”
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Insight of the Metal–Ligand Interaction in f‐Element Complexes by Paramagnetic NMR Spectroscopy by Autillo, Matthieu, Guerin, Laetitia, Dumas, Thomas, Grigoriev, Mikhail S., Fedoseev, Alexandre M., Cammelli, Sebastiano, Solari, Pier Lorenzo, Guillaumont, Dominique, Guilbaud, Philippe, Moisy, Philippe, Bolvin, Hélène, Berthon, Claude

“…The magnetic properties of LnIII and AnIII complexes formed with dipicolinate ligands have been studied by NMR spectroscopy. To know precisely the geometries…”
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Magnetic Coupling in the Ce(III) Dimer Ce2(COT)3 by Gendron, Frédéric, Autschbach, Jochen, Malrieu, Jean-Paul, Bolvin, Hélène

“…The monomer [Ce­(COT)2]− and the dimer [Ce2(COT)3], with Ce­(III) and COT = 1,3,5,7-cyclooctatetraenide, are studied by quantum chemistry calculations. Due to…”
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