Zobrazeno 1 - 10
of 251
pro vyhledávání: '"Nikolas Kaltsoyannis"'
Autor:
Jacob J. Shephard, Victoria E. J. Berryman, Tatsumi Ochiai, Olaf Walter, Amy N. Price, Mark R. Warren, Polly L. Arnold, Nikolas Kaltsoyannis, Simon Parsons
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-7 (2022)
The properties of actinide complexes depend on the ionic versus covalent nature of the bonds. Here, the authors report that pressure can distort actinide-oxygen bonding; differences seen for Th, U and Np result from the decreasing size of the atoms.
Externí odkaz:
https://doaj.org/article/f88f61b8dc004dd0bd0cf9e356b085ac
Autor:
Amy N. Price, Victoria Berryman, Tatsumi Ochiai, Jacob J. Shephard, Simon Parsons, Nikolas Kaltsoyannis, Polly L. Arnold
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-6 (2022)
The reasons for which many low-coordinate complexes exhibit bent geometry, rather than a higher symmetry, are still under debate. Here, the authors use high-pressure crystallography to examine whether low-coordinate f-block molecules become more plan
Externí odkaz:
https://doaj.org/article/055a171c49b14e1dad87384edb3d51b6
Autor:
Jingzhen Du, John A. Seed, Victoria E. J. Berryman, Nikolas Kaltsoyannis, Ralph W. Adams, Daniel Lee, Stephen T. Liddle
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Determining the covalency of actinide chemical bonding is a fundamentally important challenge. Here, the authors report a 15N nuclear magnetic resonance spectroscopy study of a terminal uranium-nitride, revealing exceptional NMR properties and covale
Externí odkaz:
https://doaj.org/article/109d4071717442b399b43eed3791e338
Autor:
Erli Lu, Saira Sajjad, Victoria E. J. Berryman, Ashley J. Wooles, Nikolas Kaltsoyannis, Stephen T. Liddle
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
In actinide chemistry, a longstanding bonding model describes metal-ligand binding using 6d-orbitals, with the 5f-orbitals remaining non-bonding. Here the authors explore the inverse-trans-influence — a case where the model breaks down — finding
Externí odkaz:
https://doaj.org/article/67caa517e6ee41fea7114dc4bd016540
Publikováno v:
Nature Communications, Vol 7, Iss 1, Pp 1-9 (2016)
Photoinduced electron transfer through, and between, pyrrole moieties is an important process both in the natural world and emerging technologies. Here, the authors use both experiment and theoretical calculation to investigate a previously undiscove
Externí odkaz:
https://doaj.org/article/537262ef5fff4d9eba919b4b4f46ed97
Autor:
Soumitra Agasti, Frédéric Beltran, Emma Pye, Nikolas Kaltsoyannis, Giacomo E. M. Crisenza, David J. Procter
Publikováno v:
Nature Chemistry. 15:535-541
C(sp3)-rich bicyclic hydrocarbon scaffolds, as exemplified by bicyclo[1.1.1]pentanes (BCPs), play an increasingly high-profile role as saturated bioisosteres of benzenoids in medicinal chemistry and crop science. Substituted bicyclo[2.1.1]hexanes (BC
Autor:
Fanxing Xi, Farabi Bozheyev, Xiaoyu Han, Marin Rusu, Jörg Rappich, Fatwa F. Abdi, Peter Bogdanoff, Nikolas Kaltsoyannis, Sebastian Fiechter
Publikováno v:
ACS Applied Materials & Interfaces. 14:52815-52824
A thiomolybdate [Mo3S13]2 nanocluster is a promising catalyst for hydrogen evolution reaction HER due to the high number of active edge sites. In this work, thiomolybdate cluster films are prepared by spin coating of a NH4 2Mo3S13 solution both on FT
Autor:
Charlotte Morrill, Áron Péter, Ilma Amalina, Emma Pye, Giacomo E. M. Crisenza, Nikolas Kaltsoyannis, David J. Procter
Publikováno v:
Morrill, C, Péter, Á, Amalina, I, Pye, E, Crisenza, G, Kaltsoyannis, N & Procter, D 2022, ' Diastereoselective radical 1,4-ester migration: radical cyclizations of acyclic esters with SmI2 ', Journal of the American Chemical Society, vol. 144, no. 30, pp. 13946-13952 . https://doi.org/10.1021/jacs.2c05972
Reductive cyclizations of carbonyl compounds, mediated by samarium(II) diiodide (SmI2, Kagan’s reagent), represent an invaluable platform to generate molecular complexity in a stereocontrolled manner. In addition to classical ketone and aldehyde su
Autor:
Jia-Li Chen, Nikolas Kaltsoyannis
Publikováno v:
Chen, J & Kaltsoyannis, N 2022, ' DFT + U study of uranium dioxide and plutonium dioxide with occupation matrix control ', The Journal of Physical Chemistry C, vol. 126, no. 27, pp. 11426-11435 . https://doi.org/10.1021/acs.jpcc.2c03804
DFT + U with occupation matrix control (OMC) is applied to study computationally bulk UO2 and PuO2, the latter for the first time. Using the PBESol functional in conjunction with OMC locates AFM and NM ground states for UO2 and PuO2, respectively, in
Autor:
Lin Yang, Nikolas Kaltsoyannis
Publikováno v:
Yang, L & Kaltsoyannis, N 2023, ' Incorporation and migration of xenon in uranium-plutonium mixed nitride; a Density Functional Theory Study ', Journal of Nuclear Materials, vol. 577, 154330 . https://doi.org/10.1016/j.jnucmat.2023.154330
Actinide nitride materials are promising candidates for advanced nuclear fuels. In this work, we investigate the bulk properties of the mixed nitrides U0.75Pu0.25N and U0.5Pu0.5N, and study the incorporation and migration behaviour of the fission gas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60d0d8d75a3263b0f5b26dd1b66abe12
https://research.manchester.ac.uk/en/publications/447100d8-8f09-45e6-92bb-2798cb5c76bd
https://research.manchester.ac.uk/en/publications/447100d8-8f09-45e6-92bb-2798cb5c76bd