Near-infrared C-term MCD spectroscopy of octahedral uranium(v) complexes

Autor: Stosh A. Kozimor, Jochen Autschbach, Michael L. Neidig, Nikki J. Wolford, Gaurab Ganguly, Matthias W. Löble, Daniel J. Curran, Samantha K. Cary, Yonaton N. Heit, Stefan G. Minasian

Publikováno v: Dalton Transactions. 50:5483-5492

C-term magnetic circular dichroism (MCD) spectroscopy is a powerful method for probing d–d and f–f transitions in paramagnetic metal complexes. However, this technique remains underdeveloped both experimentally and theoretically for studies of U(

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c8ebf404512338d6bacf91313ec5d291
https://doi.org/10.1039/d1dt00513h

Energy-Degeneracy-Driven Covalency in Actinide Bonding

Autor: Andrew Kerridge, Steven D. Conradson, Sharon E. Bone, Alex S. Ditter, Samantha K. Cary, Marianne P. Wilkerson, Enrique R. Batista, Richard L. Martin, Stefan G. Minasian, Stosh A. Kozimor, Henry S. La Pierre, Nikolas Kaltsoyannis, Kevin S. Boland, Matthias W. Löble, Veronika Mocko, Jason M. Keith, Laura E. Wolfsberg, David K. Shuh, David Clark, J. A. Bradley, Jing Su, Gerald T. Seidler, Ping Yang

Publikováno v: Journal of the American Chemical Society, vol 140, iss 51
Su, Jing; Batista, Enrique R; Boland, Kevin S; Bone, Sharon E; Bradley, Joseph A; Cary, Samantha K; et al.(2018). Energy-Degeneracy-Driven Covalency in Actinide Bonding.. Journal of the American Chemical Society, 140(51), 17977-17984. doi: 10.1021/jacs.8b09436. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/74g4q2g1
Su, J, Batista, E R, Boland, K S, Bone, S E, Bradley, J A, Cary, S K, Clark, D L, Conradson, S D, Ditter, A S, Kaltsoyannis, N, Keith, J M, Kerridge, A, Kozimor, S A, Loeble, MW, Martin, R L, Minasian, S G, Mocko, V, La Pierre, H S, Seidler, G T, Shuh, D K, Wilkerson, M P, Wolfsberg, L E & Yang, P 2018, ' Energy-Degeneracy-Driven Covalency in Actinide Bonding ', Journal of the American Chemical Society, vol. 140, pp. 17977 . https://doi.org/10.1021/jacs.8b09436

Evaluating the nature of chemical bonding for actinide elements represents one of the most important and long-standing problems in actinide science. We directly address this challenge and contribute a Cl K-edge X-ray absorption spectroscopy and relat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16493185ab897facfd675d0304da126d
https://pubmed.ncbi.nlm.nih.gov/30540455

Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region

Autor: Brian L. Scott, Hélène Bolvin, Thomas J. Duignan, Valerie E. Fleischauer, Samantha K. Cary, Matthias W. Löble, Frédéric Gendron, Stosh A. Kozimor, Jochen Autschbach, Michael L. Neidig

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (26), pp.17300-17313. ⟨10.1039/C7CP02572F⟩

We present a combined ab initio theoretical and experimental study of the magnetic circular dichroism (MCD) spectrum of the octahedral UCl6- complex ion in the UV-Vis spectral region. The ground state is an orbitally non-degenerate doublet E5/2u and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51656dbe8f8b864b0b9f20a286ae6c05
https://hal.archives-ouvertes.fr/hal-01583939

Electronic structure and O K-edge XAS spectroscopy of U3O8

Autor: Stosh A. Kozimor, Brian L. Scott, Scott R. Daly, Anthony K. Burrell, Xiaodong Wen, Tolek Tyliszczak, David K. Shuh, Richard L. Martin, Stefan G. Minasian, Kevin S. Boland, Thomas M. McCleskey, Steven D. Conradson, Matthias W. Löble, Enrique R. Batista, Eve Bauer

Publikováno v: Journal of Electron Spectroscopy and Related Phenomena. 194:81-87

Understanding the uranium 5f/6d orbital mixing with oxygen 2p valence orbitals in uranium oxides is important for advancing nuclear technology. Unfortunately, U–O orbital mixing is difficult to probe experimentally. In this manuscript, U–O bondin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d07749ae66ee10168ea3cce7b6a4d581
https://doi.org/10.1016/j.elspec.2014.03.005