Search Results - "Overgaard, Jacob"

Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets by Gao, Chen, Genoni, Alessandro, Gao, Song, Jiang, Shangda, Soncini, Alessandro, Overgaard, Jacob

“…The distribution of electrons in the 4f orbitals of lanthanide ions is often assigned a crucial role in the design of single-molecule magnets, which maintain…”
Get full text

Accurate high‐resolution single‐crystal diffraction data from a Pilatus3 X CdTe detector by Krause, Lennard, Tolborg, Kasper, Grønbech, Thomas Bjørn Egede, Sugimoto, Kunihisa, Iversen, Bo Brummerstedt, Overgaard, Jacob

“…Hybrid photon‐counting detectors are widely established at third‐generation synchrotron facilities and the specifications of the Pilatus3 X CdTe were quickly…”
Get full text

X-ray electron density investigation of chemical bonding in van der Waals materials by Kasai, Hidetaka, Tolborg, Kasper, Sist, Mattia, Zhang, Jiawei, Hathwar, Venkatesha R, Filsø, Mette Ø, Cenedese, Simone, Sugimoto, Kunihisa, Overgaard, Jacob, Nishibori, Eiji, Iversen, Bo B

“…Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding…”
Get full text

In Situ Generated Bulky Palladium Hydride Complexes as Catalysts for the Efficient Isomerization of Olefins. Selective Transformation of Terminal Alkenes to 2-Alkenes by Gauthier, Delphine, Lindhardt, Anders T., Olsen, Esben P. K., Overgaard, Jacob, Skrydstrup, Troels

“…Application of an in situ generated bulky palladium(II) hydride catalyst obtained from a 1:1:1 mixture of Pd(dba)(2), P(tBu)(3), and isobutyryl chloride…”
Get more information

Quantitative analysis of intermolecular interactions in orthorhombic rubrene by Hathwar, Venkatesha R., Sist, Mattia, Jørgensen, Mads R. V., Mamakhel, Aref H., Wang, Xiaoping, Hoffmann, Christina M., Sugimoto, Kunihisa, Overgaard, Jacob, Iversen, Bo Brummerstedt

“…Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in…”
Get full text

Pronounced Magnetic Bistability in Highly Cooperative Mononuclear [Fe(L npdtz ) 2 (NCX) 2 ] Complexes by Kiehl, Jonathan, Hochdörffer, Tim, Carrella, Luca M, Schünemann, Volker, Nygaard, Mathilde H, Overgaard, Jacob, Rentschler, Eva

“…Molecular materials that exhibit stimuli-responsive bistability are promising candidates for the development of molecular switches and sensors. We herein…”
Get more information

Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction by Craven, Matthew, Nygaard, Mathilde H, Zadrozny, Joseph M, Long, Jeffrey R, Overgaard, Jacob

“…The tetrahedral cobalt(II) compound (Ph P) [Co(SPh) ] was the first mononuclear transition-metal complex shown to exhibit slow relaxation of the magnetization…”
Get more information

Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study by Damgaard-Møller, Emil, Krause, Lennard, Lassen, Helene, Malaspina, Lorraine A, Grabowsky, Simon, Bamberger, Heiko, McGuire, Jake, Miras, Haralampos N, Sproules, Stephen, Overgaard, Jacob

“…Understanding magnetic anisotropy and specifically how to tailor it is crucial in the search for high-temperature single-ion magnets. Herein, we investigate…”
Get more information

Structure-property correlation in stabilizing axial magnetic anisotropy in octahedral Co(II) complexes by Tripathi, Shalini, Vaidya, Shefali, Ahmed, Naushad, Andreasen Klahn, Emil, Cao, Huibo, Spillecke, Lena, Koo, Changhyun, Spachmann, Sven, Klingeler, Rüdiger, Rajaraman, Gopalan, Overgaard, Jacob, Shanmugam, Maheswaran

“…Stabilizing an easy axis of magnetization in an octahedral Co(II) complex is an extremely challenging task, which is evident from reports that more than 90%…”
Get full text

Access to 1,2-Dihydroisoquinolines through Gold-Catalyzed Formal [4+2] Cycloaddition by Xin, Zhuo, Kramer, Søren, Overgaard, Jacob, Skrydstrup, Troels

“…A new synthetic route to the privileged 1,2‐dihydroisoquinolines is reported. This method, which relies on a gold‐catalyzed formal [4+2] cycloaddition between…”
Get full text

Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis by Shi, Ming W, Thomas, Sajesh P, Hathwar, Venkatesha R, Edwards, Alison J, Piltz, Ross O, Jayatilaka, Dylan, Koutsantonis, George A, Overgaard, Jacob, Nishibori, Eiji, Iversen, Bo B, Spackman, Mark A

“…High-resolution synchrotron and neutron single-crystal diffraction data of 18-crown-6/(pentakis)urea measured at 30 K are combined, with the aim of better…”
Get more information

Crystal structure across the β to α phase transition in thermoelectric Cu2–xSe by Eikeland, Espen, Blichfeld, Anders B., Borup, Kasper A., Zhao, Kunpeng, Overgaard, Jacob, Shi, Xun, Chen, Lidong, Iversen, Bo B.

“…Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of…”
Get full text

Taking Advantage of the Ambivalent Reactivity of Ynamides in Gold Catalysis: A Rare Case of Alkyne Dimerization by Kramer, Søren, Odabachian, Yann, Overgaard, Jacob, Rottländer, Mario, Gagosz, Fabien, Skrydstrup, Troels

“…A gold mine of results: A series of ynamides have been dimerized in the presence of a gold(I) complex. This unprecedented transformation involves the formation…”
Get full text

A Concise Route to the Strongylophorines by Yu, Wanwan, Hjerrild, Per, Overgaard, Jacob, Poulsen, Thomas B.

“…An efficient eight‐step semisynthesis of strongylophorine‐2 from the abundant building block isocupressic acid is reported. The route represents the first…”
Get full text

Mapping the Magnetic Anisotropy at the Atomic Scale in Dysprosium Single‐Molecule Magnets by Klahn, Emil A., Gao, Chen, Gillon, Beatrice, Gukasov, Arsen, Fabrèges, Xavier, Piltz, Ross O., Jiang, Shang‐Da, Overgaard, Jacob

“…The anisotropy of the magnetic properties of molecular magnets is a key descriptor in the search for improved magnets. Herein, it is shown how an analytical…”
Get full text

Crystal structures of thermoelectric n- and p-type Ba8Ga16Ge30 studied by single crystal, multitemperature, neutron diffraction, conventional X-ray diffraction and resonant synchrotron X-ray diffraction by Christensen, Mogens, Lock, Nina, Overgaard, Jacob, Iversen, Bo B

“…Comprehensive single-crystal structural investigations of n- and p-type Ba8Ga16Ge30 have been carried out using multitemperature neutron and conventional X-ray…”
Get more information

Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? by Qian, Kang, Baldoví, José J., Jiang, Shang-Da, Gaita-Ariño, Alejandro, Zhang, Yi-Quan, Overgaard, Jacob, Wang, Bing-Wu, Coronado, Eugenio, Gao, Song

“…A dysprosium based single-ion magnet is synthesized and characterized by the angular dependence of the single-crystal magnetic susceptibility. Ab initio and…”
Get full text

Testing the concept of hypervalency: charge density analysis of K2SO4 by Schmøkel, Mette S, Cenedese, Simone, Overgaard, Jacob, Jørgensen, Mads R V, Chen, Yu-Sheng, Gatti, Carlo, Stalke, Dietmar, Iversen, Bo B

“…One of the most basic concepts in chemical bonding theory is the octet rule, which was introduced by Lewis in 1916, but later challenged by Pauling to explain…”
Get more information

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 by Fugel, Malte, Jayatilaka, Dylan, Hupf, Emanuel, Overgaard, Jacob, Hathwar, Venkatesha R., Macchi, Piero, Turner, Michael J., Howard, Judith A. K., Dolomanov, Oleg V., Puschmann, Horst, Iversen, Bo B., Bürgi, Hans-Beat, Grabowsky, Simon

“…Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder…”
Get full text

Non-Biaryl Atropisomers in Organocatalysis by Brandes, Sebastian, Niess, Barbara, Bella, Marco, Prieto, Auxiliadora, Overgaard, Jacob, Jørgensen, Karl Anker

“…A new class of 6′‐hydroxy cinchona alkaloids, with a non‐biaryl atropisomeric functionalisation at position 5′ of the quinoline core can be prepared by an easy…”
Get full text