Výsledky vyhledávání - "Henrik F. Clausen"

Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities

Autor: Mogens Christensen, Simone Cenedese, Mads R. V. Jørgensen, Mette Stokkebro Schmøkel, Henrik F. Clausen, Mark A. Spackman, Yu-Sheng Chen, Jacob Overgaard, Bo B. Iversen, George A. Koutsantonis

Publikováno v: Clausen, H F, Jørgensen, M R V, Cenedese, S, Schmøkel, M S, Christensen, M, Chen, Y-S, Koutsantonis, G A, Overgaard, J, Spackman, M & Iversen, B B 2014, ' Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis : Implications for Molecular Inclusion in Supramolecular Entities ', Chemistry: A European Journal, vol. 20, no. 26, pp. 8089-8098 . https://doi.org/10.1002/chem.201400129

X-ray/neutron (X/N) diffraction data measured at very low temperature (15 K) in conjunction with ab initio theoretical calculations were used to model the crystal charge density (CD) of the host-guest complex of hydroquinone (HQ) and acetonitrile. Du

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https://doi.org/10.1002/chem.201400129

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Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2

Autor: Bo B. Iversen, Yu-Sheng Chen, Jacob Overgaard, Henrik F. Clausen, Carlo Gatti, Mads R. V. Jørgensen, Simone Cenedese

Publikováno v: Jørgensen, M R V, Cenedese, S, Clausen, H F, Overgaard, J, Chen, Y-S, Gatti, C & Iversen, B B 2013, ' Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO) 2 (H 2 O) 2 ', Inorganic Chemistry, vol. 52, no. 1, pp. 297-305 . https://doi.org/10.1021/ic301918x
Inorganic chemistry 52 (2013): 297–305. doi:10.1021/ic301918x
info:cnr-pdr/source/autori:Mads R. V. Jørgensen, Simone Cenedese, Henrik F. Clausen, Jacob Overgaard,* Yu-Sheng Chen, Carlo Gatti, and Bo B. Iversen*/titolo:Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2/doi:10.1021%2Fic301918x/rivista:Inorganic chemistry/anno:2013/pagina_da:297/pagina_a:305/intervallo_pagine:297–305/volume:52

We present a combined experimental and theoretical charge density study of the coordination polymer Zn(HCOO)(2)(H(2)O)(2), which serves as a nonmagnetic reference for the isostructural magnetic compounds containing 3d transition metals. The charge de

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https://doi.org/10.1021/ic301918x

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Application of Atomic Hirshfeld Surface Analysis to Intermetallic Systems: Is Mn in Cubic CeMnNi4 a Thermoelectric Rattler atom?

Autor: Eiji Nishibori, Mogens Christensen, Iben Skovsen, Jianli Mi, Bo B. Iversen, Mark A. Spackman, Mads R. V. Jørgensen, Henrik F. Clausen

Publikováno v: Jørgensen, M R V, Skovsen, I, Clausen, H F, Mi, J-L, Christensen, M, Nishibori, E, Spackman, M A & Iversen, B B 2012, ' Application of Atomic Hirshfeld Surface Analysis to Intermetallic Systems: Is Mn in Cubic CeMnNi 4 a Thermoelectric Rattler atom? ', Inorganic Chemistry, vol. 51, no. 3, pp. 1916-1924 . https://doi.org/10.1021/ic202231k

The Mn atom in the cubic polymorph of CeMnNi(4) appears to be located in an oversized cage-like structure, and anomalously large atomic displacement parameters (ADPs) for the Mn atom indicate that it is a potential "rattler" atom. Here, multitemperat

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https://doi.org/10.1021/ic202231k

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Intermolecular Interactions and Electrostatic Properties of the β-Hydroquinone Apohost: Implications for Supramolecular Chemistry

Autor: Yu-Sheng Chen, Jacob Overgaard, Mark A. Spackman, Henrik F. Clausen, George A. Koutsantonis, Bo B. Iversen, Dylan Jayatilaka

Publikováno v: Clausen, H F, Chen, Y-S, Jayatilaka, D, Overgaard, J, Koutsantonis, G A, Spackman, M A & Iversen, B B 2011, ' Intermolecular Interactions and Electrostatic Properties of the β-Hydroquinone Apohost: Implications for Supramolecular Chemistry ', Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol. 115, pp. 12962-12972 . https://doi.org/10.1021/jp2041789

The crystal structure of the β-polymorph of hydroquinone (β-HQ), the apohost of a large family of clathrates, is reported with a specific focus on intermolecular interactions and the electrostatic nature of its cavity. Hirshfeld surface analysis re

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https://doi.org/10.1021/jp2041789

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Crystal Structures and Physical Properties of Three New Manganese‐Based Coordination Polymers with p ‐Biphenyldicarboxylic Acid Linkers

Autor: Henrik F. Clausen, Mads R. V. Jørgensen, Mogens Christensen, Jacob Overgaard, Rasmus D. Poulsen, Bo B. Iversen

Publikováno v: Jørgensen, M R V, Clausen, H F, Christensen, M, Poulsen, R D, Overgaard, J & Iversen, B B 2011, ' Crystal Structures and Physical Properties of Three New Manganese-Based Coordination Polymers with p-Biphenyldicarboxylic Acid Linkers ', European Journal of Inorganic Chemistry, vol. 2011, no. 4, pp. 549-555 . https://doi.org/10.1002/ejic.201001001

Solvothermal synthesis with manganese nitrate, p-biphenyldicarboxylic acid, and three different solvents resulted in three new metal–organic framework materials: Mn(C14H8O4)(C3H7NO)2/3 (1), Mn2(C14H8O4)3/2(CHO2) (2), and Mn3(C14H8O4)3(C4H9NO)4 (3).

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https://doi.org/10.1002/ejic.201001001

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Synthesis, Crystal Structure, Atomic Hirshfeld Surfaces, and Physical Properties of Hexagonal CeMnNi4

Autor: Eckhard Mueller, Titas Desgupta, Christian Stiewe, Bo B. Iversen, Henrik F. Clausen, Mogens Christensen, Jacob Overgaard, Mark A. Spackman, Iben Skovsen

Publikováno v: Skovsen, I, Christensen, M, Clausen, H F, Overgaard, J, Stiewe, C, Desgupta, T, Mueller, E, Spackman, M A & Iversen, B B 2010, ' Synthesis, Crystal Structure, Atomic Hirshfeld Surfaces, and Physical Properties of Hexagonal CeMnNi4 ', Inorganic Chemistry, vol. 49, no. 20, pp. 9343-9349 . https://doi.org/10.1021/ic100990a

The hexagonal polymorph of CeMnNi(4) has been synthesized using cold crucible, high-frequency induction melting with subsequent Czochralski crystal pulling. Single-crystal X-ray diffraction, multitemperature synchrotron powder X-ray diffraction (90 t

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https://doi.org/10.1021/ic100990a

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Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions

Autor: Mark A. Spackman, Henrik F. Clausen, Marie S. Chevallier, Bo B. Iversen

Publikováno v: Clausen, H F, Chevallier, M-A S, Spackman, M & Iversen, B B 2010, ' Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions ', New Journal of Chemistry . https://doi.org/10.1039/b9nj00463g

Hydroquinone (benzene-1,4-diol or quinol) is reported here to form co-crystals in different ratios with propan-2-ol, N,N-dimethylacetamide (DMA) and N,N-diethylformamide (DEF). Investigation of intermolecular interactions and crystal packing via Hirs

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https://doi.org/10.1039/b9nj00463g

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Helium cryostat synchrotron charge densities determined using a large CCD detector – the upgraded beamline D3 at DESY

Autor: Helle Svendsen, Finn K. Larsen, Jacob Overgaard, Mads R. V. Jørgensen, Bo B. Iversen, Wolfgang Morgenroth, Henrik F. Clausen

Publikováno v: Journal of Applied Crystallography. 41:846-853

A 165 mm Mar CCD detector has been fitted on a large Huber four-circle diffractometer together with a helium cryostat at beamline D3 at Hasylab, DESY in Hamburg. This setup allows fast collection of accurate, short-wavelength, very low temperature X-

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https://doi.org/10.1107/s0021889808024643

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Pulsed-flow near-critical and supercritical synthesis of carbon-supported platinum nanoparticles and in situ X-ray diffraction study of their formation and growth

Autor: Henrik F. Clausen, Patricia Hernandez-Fernandez, Jacob Becker, Mette Stokkebro Schmøkel, Jianli Mi, Bo B. Iversen, Martin Bremholm

Publikováno v: Mi, J, Clausen, H F, Bremholm, M, Schmøkel, M S, Hernández-Fernández, P, Becker, J & Iversen, B B 2015, ' Pulsed-flow near-critical and supercritical synthesis of carbon-supported platinum nanoparticles and in situ X-ray diffraction study of their formation and growth ', Chemistry of Materials, vol. 27, no. 2, pp. 450-456 . https://doi.org/10.1021/cm5033817

The formation and growth of carbon (C)-supported platinum (Pt) nanoparticles in a high-temperature, high-pressure ethanol solution have been studied by in situ synchrotron radiation powder X-ray diffraction (PXRD). Supercritical synthesis is shown to

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https://pure.au.dk/portal/da/publications/pulsedflow-nearcritical-and-supercritical-synthesis-of-carbonsupported-platinum-nanoparticles-and-in-situ-xray-diffraction-study-of-their-formation-and-growth(25f303ee-6aea-48a8-8349-4b059ce8a85e).html

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Poly[sesqui(μ4-biphenyl-4,4′-dicarboxylato-κ4O:O′:O′′:O′′′)(diethylformamide-κO)gadolinium]

Autor: Henrik F. Clausen, Bo B. Iversen, Marie-Agnes Chevallier, Jacob Overgaard, Rasmus D. Poulsen

Publikováno v: Acta Crystallographica Section E Structure Reports Online. 61:m2308-m2310

The crystal structure of the title compound, [Gd(C14H8O4)1.5(C5H11NO)]n, comprises chains of Gd atoms intraconnected by the carboxylate groups of the biphenyl-4,4′-dicarboxylate (BPDC) linkers, one of which is disposed about a twofold axis. T

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https://doi.org/10.1107/s1600536805032162

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