Comprehensive DFT calculations on protonated metallic hexa halide anions MX6−(M=Ni, Pd, Pt; X=F, Cl)

Gillespie, 1971, Adv. Phys. Org. Chem., 9, 1 Gillespie, 1973, J. Am. Chem. Soc., 95, 5173, 10.1021/ja00797a013 Hogeveen, 1969, Recl. Trav. Chim. Pays-Bas, 88, 371, 10.1002/recl.19690880316 Hogeveen, 1967, J. Chem. Soc., Chem. Commun., 635 Olah, 1968, J. Am. Chem. Soc., 90, 2726, 10.1021/ja01012a066 Hall, 1927, J. Am. Chem. Soc., 49, 3047, 10.1021/ja01411a010 Olah, 1970, Chemistry in super acids. IV, J. Am. Chem. Soc., 929, 3831, 10.1021/ja00715a071 Olah, 1979, Superacids, Science, 206, 13, 10.1126/science.206.4414.13 Herlem, 1977, Pure Appl. Chem., 49, 107, 10.1351/pac197749010107 Czapla, 2016, RSC Adv., 6, 29314, 10.1039/C6RA02199A Srivastava, 2015, Polyhedron, 102, 711, 10.1016/j.poly.2015.09.072 Otto, 1998, Chem. Commun., 3, 391, 10.1039/a707493j Senger, 2000, J. Phys. Chem., 104, 7375, 10.1021/jp001226r Zhong, 2009, Org. Lett., 11, 749, 10.1021/ol802826h Pines, 1981 Fahy, 1997, J. Am. Chem. Soc., 119, 8576, 10.1021/ja971864w Milandou, 2017, Angew. Chem. Int. Ed., 56, 175, 10.1002/ange.201609574 Koppel, 2000, J. Am. Chem. Soc., 122, 5114, 10.1021/ja0000753 Otto, 1998, Chem. Commun., 391, 10.1039/a707493j Czapla, 2015, J. Phys. Chem., 119, 12868, 10.1021/acs.jpca.5b10205 Czapla, 2015, Chem. Phys. Lett., 630, 1, 10.1016/j.cplett.2015.04.038 Srivastava, 2017, J. Fluor. Chem., 197, 59, 10.1016/j.jfluchem.2017.03.001 Gutsev, 1984, The way to systems with the highest possible electron affinity, Chem. Phys. Lett., 108, 250, 10.1016/0009-2614(84)87059-1 Pandey, 2015, Main Group Chem., 14, 291, 10.3233/MGC-150172 Siddiqui, 2012, J. Fluor. Chem., 135, 285, 10.1016/j.jfluchem.2011.12.009 Srivastava, 2015, Chem. Sci., 127, 1853, 10.1007/s12039-015-0943-6 Srivastava, 2014, J. Fluor. Chem., 158, 65, 10.1016/j.jfluchem.2013.12.008 Joseph, 2012, J. Chem. Phys., 136, 194305, 10.1063/1.4719089 Siddiqui, 2013, Solid State Sci., 15, 60, 10.1016/j.solidstatesciences.2012.08.024 Siddiqui, 2011 Siddiqui, 2015, Main Group Chem., 14, 161, 10.3233/MGC-140160 Siddiqui, 2013, J. Comput. Theor. Nanosci., 1122, 10.1166/jctn.2013.2817 Frisch, 2000, GAUSSVIEW Inc. Becke, 1993, Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys., 98, 5648, 10.1063/1.464913 Schwerdtfeger, 1989, J. Chem. Phys., 91, 1762, 10.1063/1.457082 Dolg, 1987, J. Chem. Phys., 86, 866, 10.1063/1.452288 Koirala, 2010, J. Phys. Chem., C114, 16018, 10.1021/jp101807s Siddiqui, 2012, Struct. Chem., 23, 267, 10.1007/s11224-011-9871-3 Siddiqui, 2012, J. Theor. Comput. Chem., 11, 723, 10.1142/S0219633612500484 Frisch, 2003 Srivastava, 2014, J. Fluor. Chem., 158, 65, 10.1016/j.jfluchem.2013.12.008 Topol, 1997, J. Phys. Chem., 101, 10075, 10.1021/jp9723168 Koppel, 2000, J. Am. Chem. Soc., 122, 5114, 10.1021/ja0000753 Matta, 2007, Wiley-VCH Verlag Gmbh, 1 Espinosa, 1998, Chem. Phys. Lett., 285, 170, 10.1016/S0009-2614(98)00036-0 Koch, 1995, J. Phys. Chem., 99, 9747, 10.1021/j100024a016 Parr, 1978, J. Chem. Phys., 68, 3801, 10.1063/1.436185 Parr, 1983, J. Am. Chem. Soc., 105, 7512, 10.1021/ja00364a005