Abstract
Cl K-edges of a wide range of chlorides of 4d and 5d transition metals {MCl6}n− (M = Rh, Pd, Re, Os, Ir, Pt) are obtained using the Kosmos station of the VEPP-4 synchrotron. The combined use of experimental X-ray and theoretical means allows determination of the magnitude of spin–orbit coupling (SOC), depending on the transition metal. The features of the Cl K-edge are analyzed with and without SOC, and upon stretching and compression of the complexes.
REFERENCES
Streltsov, S.V. and Khomskii, D.I., Phys.—Usp., 2017, vol. 60, no. 11, p. 1121.
Streltsov, S.V. and Khomskii, D.I., Phys. Rev. X, 2020, vol. 10, no. 3, p. 031043.
Takayama, T., Chaloupka, J., Smerald, A., et al., J. Phys. Soc. Jpn., 2021, vol. 90, no. 6, p. 062001.
Kim, B.J., Ohsumi, H., Komesu, T., et al., Science, 2009, vol. 323, no. 5919, p. 1329.
Chen, G., Pereira, R., and Balents, L., Phys. Rev. B, 2010, vol. 82, no. 17, p. 174440.
Sinova, J., Valenzuela, S.O., Wunderlich, J., et al., Rev. Mod. Phys., 2015, vol. 87, no. 4, p. 1213.
Hirsch, J.E., Phys. Rev. Lett., 1999, vol. 83, no. 9, p. 1834.
Manchon, A., Koo, H.C., Nitta, J., et al., Nat. Mater., 2015, vol. 14, no. 9, p. 871.
Fert, A., Reyren, N., and Cros, V., Nat. Rev. Mater., 2017, vol. 2, no. 7, p. 17031.
Chaloupka, J., Jackeli, G., and Khaliullin, G., Phys. Rev. Lett., 2010, vol. 105, no. 2, p. 027204.
Kim, Y.K., Krupin, O., Denlinger, J.D., et al., Science, 2014, vol. 345, no. 6193, p. 187.
Hao, L., Meyers, D., Dean, M.P.M., et al., J. Phys. Chem. Solids, 2019, vol. 128, p. 39.
Khan, N., Prishchenko, D., Skourski, Y., et al., Phys. Rev. B, 2019, vol. 99, no. 14, p. 144425.
Sheng, X.-L., Nikoli, B.K, Phys. Rev. B, 2017, vol. 95, no. 20, p. 201402.
Yamada, M.G., Oshikawa, M., and Jackeli, G., Phys. Rev. Lett., 2018, vol. 121, no. 9, p. 097201.
Plumb, K.W., Clancy, J.P., Sandilands, L.J., et al., Phys. Rev. B, 2014, vol. 90, no. 4, p. 041112.
Ishikawa, H., Takayama, T., Kremer, R.K., et al., Phys. Rev. B, 2019, vol. 100, no. 4, p. 045142.
Pedersen, K.S., Woodruff, D.N., Singh, S.K., et al., Chem.—Eur. J., 2017, vol. 23, no. 47, p. 11244.
Stamokostas, G.L. and Fiete, G.A., Phys. Rev. B, 2018, vol. 97, no. 8, p. 085150.
Liu, X., Katukuri, V.M., Hozoi, L., et al., Phys. Rev. Lett., 2012, vol. 109, no. 15, p. 157401.
de Groot, F.M.F., Grioni, M., Fuggle, J.C., et al., Phys. Rev. B, 1989, vol. 40, no. 8, p. 5715.
Lafuerza, S., Subias, G., Garcia, J., et al., J. Phys.: Condens. Matter, 2011, vol. 23, no. 32, p. 325601.
Chernyaev, I.I., Sintez kompleksnykh soedinenii metallov platinovoi gruppy. Spravochnik (Synthesis of Complex Compounds of Platinum Group Metals: Handbook), Moscow: Nauka, 1964.
Gubanov, A.I., Korenev, S.V., Gromilov, S.A., et al., J. Struct. Chem., 2000, vol. 41, no. 2, p. 340.
Korol’kov, I.V., Gubanov, A.I., Yusenko, K.V., et al., J. Struct. Chem., 2007, vol. 48, no. 3, p. 486.
Gromilov, S.A., Korenev, S.V., Khranenko, S.P., et al., J. Struct. Chem., 1997, vol. 38, no. 1, p. 96.
Zabrodsky, V.V., Aruev, P.N., Sukhanov, V.L., et al., Proc. ISMTII-2009, St. Petersburg, 2009, vol. 3, p. 243.
Piminov, P.A., Baranov, G.N., Bogomyagkov, A.V., et al., Phys. Procedia, 2016, vol. 84, p. 19.
Nikolenko, A.D., Avakyan, S.V., Afanas’ev, I.M., et al., J. Surf. Invest.: X-ray, Synchrotron Neutron Tech., 2012, vol. 6, no. 5, p. 388.
Asanova, T.I., Asanov, I.P., Kim, M.-G., et al., New J. Chem., 2018, vol. 42, no. 7, p. 5071.
Schaefers, F., Mertin, M., and Gorgoi, M., Rev. Sci. Instrum., 2007, vol. 78, no. 12, p. 123102.
te Velde, G., Bickelhaupt, F.M., Baerends, E.J., et al., J. Comput. Chem., 2001, vol. 22, no. 9, p. 931.
Becke, A.D., J. Chem. Phys., 1993, vol. 98, no. 7, p. 5648.
Becke, A.D., Phys. Rev. A, 1988, vol. 38, no. 6, p. 3098.
Lee, C., Yang, W., and Parr, R.G., Phys. Rev. B, 1988, vol. 37, no. 2, p. 785.
Van Lenthe, E. and Baerends, E.J., J. Comput. Chem., 2003, vol. 24, no. 9, p. 1142.
Visscher, L. and van Lenthe, E., Chem. Phys. Lett., 1999, vol. 306, nos. 5–6, p. 357.
van Lenthe, E., Ehlers, A., and Baerends, E.-J., J. Chem. Phys., 1999, vol. 110, no. 18, p. 8943.
Hoek, P.J., Baerends, E.J., and van Santen, R.A., J. Phys. Chem., 1989, vol. 93, no. 17, p. 6469.
Neese, F., WIREs Comput. Mol. Sci., 2022, vol. 12, no. 5, p. e1606.
Weigend, F. and Ahlrichs, R., Phys. Chem. Chem. Phys., 2005, vol. 7, no. 18, p. 3297.
Stoychev, G.L., Auer, A.A., and Neese, F., J. Chem. Theory Comput., 2017, vol. 13, no. 2, p. 554.
Noro, T., Sekiya, M., and Koga, T., Theor. Chem. Acc., 2013, vol. 132, no. 5, p. 1363.
Hess, B.A., Phys. Rev. A, 1986, vol. 33, no. 6, p. 3742.
Ganyushin, D. and Neese, F., J. Chem. Phys., 2013, vol. 138, no. 10, p. 104113.
Angeli, C., Cimiraglia, R., and Malrieu, J.-P., J. Chem. Phys., 2002, vol. 117, no. 20, p. 9138.
Lang, L., Atanasov, M., and Neese, F., J. Phys. Chem. A, 2020, vol. 124, no. 5, p. 1025.
Neese, F., J. Comput. Chem., 2003, vol. 24, no. 14, p. 1740.
Neese, F. and Solomon, E.I., Inorg. Chem., 1998, vol. 37, no. 26, p. 6568.
Roemelt, M. and Neese, F., J. Phys. Chem. A, 2013, vol. 117, no. 14, p. 3069.
Khomskii, D.I. and Streltsov, S.V., Chem. Rev., 2021, vol. 121, no. 5, p. 2992.
Pershina, V., Russ. Chem. Rev., 2009, vol. 78, no. 12, p. 1153.
Georges, A., de’ Medici, L., and Mravlje, J., Annu. Rev. Condens. Matter Phys., 2013, vol. 4, no. 1, p. 137.
Yuan, B., Clancy, J.P., Cook, A.M., et al., Phys. Rev. B, 2017, vol. 95, no. 23, p. 235114.
Shadle, S.E., Hedman, B., Hodgson, K.O., et al., J. Am. Chem. Soc., 1995, vol. 117, no. 8, p. 2259.
Sergentu, D.-C. and Autschbach, J., Chem. Sci., 2022, vol. 13, no. 11, p. 3194.
ACKNOWLEDGMENTS
This work was performed on equipment at the Siberian Center of Synchrotron and Terahertz Radiation based on the VEPP-4–VEPP-2000 Complex at the Budker Institute of Nuclear Physics. Our quantum chemical calculations were made using the resources of the Siberian Supercomputer Center at the Institute of Computational Mathematics and Mathematical Geophysics. The authors are grateful to the RF Ministry of Science and Higher Education.
Funding
This work was supported by the Russian Science Foundationas, project no. 22-22-00683.
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Translated by E. Boltukhina
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Fedorenko, A.D., Asanov, I.P., Asanova, T.I. et al. Features of Cl K-edge XANES Spectra of Transition Metal Complexes {MCl6}n− (M = Rh, Pd, Re, Os, Ir, Pt). Bull. Russ. Acad. Sci. Phys. 87, 654–661 (2023). https://doi.org/10.3103/S1062873822701805
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DOI: https://doi.org/10.3103/S1062873822701805