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Determining relative f and d orbital contributions to M-Cl covalency in MCl6(2-) (M = Ti, Zr, Hf, U) and UOCl5(-) using Cl K-edge X-ray absorption spectroscopy and time-dependent density functional theory.
Minasian SG, Keith JM, Batista ER, Boland KS, Clark DL, Conradson SD, Kozimor SA, Martin RL, Schwarz DE, Shuh DK, Wagner GL, Wilkerson MP, Wolfsberg LE, Yang P. Minasian SG, et al. Among authors: shuh dk. J Am Chem Soc. 2012 Mar 28;134(12):5586-97. doi: 10.1021/ja2105015. Epub 2012 Mar 9. J Am Chem Soc. 2012. PMID: 22404133
Synthesis and structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu).
Minasian SG, Boland KS, Feller RK, Gaunt AJ, Kozimor SA, May I, Reilly SD, Scott BL, Shuh DK. Minasian SG, et al. Among authors: shuh dk. Inorg Chem. 2012 May 21;51(10):5728-36. doi: 10.1021/ic300179d. Epub 2012 May 3. Inorg Chem. 2012. PMID: 22554112
Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy.
Spencer LP, Yang P, Minasian SG, Jilek RE, Batista ER, Boland KS, Boncella JM, Conradson SD, Clark DL, Hayton TW, Kozimor SA, Martin RL, MacInnes MM, Olson AC, Scott BL, Shuh DK, Wilkerson MP. Spencer LP, et al. Among authors: shuh dk. J Am Chem Soc. 2013 Feb 13;135(6):2279-90. doi: 10.1021/ja310575j. Epub 2013 Jan 15. J Am Chem Soc. 2013. PMID: 23320417
Covalency in metal-oxygen multiple bonds evaluated using oxygen K-edge spectroscopy and electronic structure theory.
Minasian SG, Keith JM, Batista ER, Boland KS, Bradley JA, Daly SR, Kozimor SA, Lukens WW, Martin RL, Nordlund D, Seidler GT, Shuh DK, Sokaras D, Tyliszczak T, Wagner GL, Weng TC, Yang P. Minasian SG, et al. Among authors: shuh dk. J Am Chem Soc. 2013 Feb 6;135(5):1864-71. doi: 10.1021/ja310223b. Epub 2013 Jan 28. J Am Chem Soc. 2013. PMID: 23351138
93 results