Computational Versus Experimental Spectroscopy …
183
71. Ruamps R et al (2013) Giant Ising-type magnetic anisotropy in trigonal bipyramidal Ni(ii)
complexes: experiment and theory. J Am Chem Soc 135:3017–3026. https://doi.org/10.1021/
ja308146e
72. Gruden-Pavlovic M, Peric M, Zlatar M, Garcia-Fernandez P (2014) Theoretical study of the
magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential
molecular magnet behavior. Chem Sci 5:1453–1462. https://doi.org/10.1039/c3sc52984c
73. Groom CR, Bruno IJ, Lightfoot MP, Ward SC (2016) The Cambridge structural database. Acta
Cryst B 72:171–179. https://doi.org/10.1107/s2052520616003954
74. Rozell WJ, Wood JS (1977) Crystal and molecular-structures of 5-coordinate complexes [Ni(LCH 3 ) 2 Cl 3 ]ClO 4 and [Cu(LCH 3 ) 2 Cl 3 ]ClO 4 , where L + CH 3 N-methyl1,4-diazabicyclo[2.2.2]octonium ion. Inorg Chem 16:1827–1833. https://doi.org/10.1021/
ic50174a001
75. Pritchard RG, Ali M, Munim A, Uddin A (2006) Effedcts d-orbital occupancy on the geometry
of the trigonal-bipyramidal complexes (MCl3)-Cl-II(Hdabco)(dabco) (n), where M is Mn, Co,
Ni or Cu and dabco is 1,4-diazabicyclo 2.2.2-octane. Acta Crystallogr Sect C Crystal Struct
Commun 62:M507–M509. https://doi.org/10.1107/s0108270106037504
76. Marriott KER, Bhaskaran L, Wilson C, Medarde M, Ochsenbein ST, Hill S, Murrie M
(2015) Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii). Chem Sci
6:6823–6828. https://doi.org/10.1039/c5sc02854j
77. Nemec I, Herchel R, Svoboda I, Boca R, Travnicek Z (2015) Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(II) Schiff base complexes. Dalton Trans
44:9551–9560. https://doi.org/10.1039/c5dt00600g
183
71. Ruamps R et al (2013) Giant Ising-type magnetic anisotropy in trigonal bipyramidal Ni(ii)
complexes: experiment and theory. J Am Chem Soc 135:3017–3026. https://doi.org/10.1021/
ja308146e
72. Gruden-Pavlovic M, Peric M, Zlatar M, Garcia-Fernandez P (2014) Theoretical study of the
magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential
molecular magnet behavior. Chem Sci 5:1453–1462. https://doi.org/10.1039/c3sc52984c
73. Groom CR, Bruno IJ, Lightfoot MP, Ward SC (2016) The Cambridge structural database. Acta
Cryst B 72:171–179. https://doi.org/10.1107/s2052520616003954
74. Rozell WJ, Wood JS (1977) Crystal and molecular-structures of 5-coordinate complexes [Ni(LCH 3 ) 2 Cl 3 ]ClO 4 and [Cu(LCH 3 ) 2 Cl 3 ]ClO 4 , where L + CH 3 N-methyl1,4-diazabicyclo[2.2.2]octonium ion. Inorg Chem 16:1827–1833. https://doi.org/10.1021/
ic50174a001
75. Pritchard RG, Ali M, Munim A, Uddin A (2006) Effedcts d-orbital occupancy on the geometry
of the trigonal-bipyramidal complexes (MCl3)-Cl-II(Hdabco)(dabco) (n), where M is Mn, Co,
Ni or Cu and dabco is 1,4-diazabicyclo 2.2.2-octane. Acta Crystallogr Sect C Crystal Struct
Commun 62:M507–M509. https://doi.org/10.1107/s0108270106037504
76. Marriott KER, Bhaskaran L, Wilson C, Medarde M, Ochsenbein ST, Hill S, Murrie M
(2015) Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii). Chem Sci
6:6823–6828. https://doi.org/10.1039/c5sc02854j
77. Nemec I, Herchel R, Svoboda I, Boca R, Travnicek Z (2015) Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(II) Schiff base complexes. Dalton Trans
44:9551–9560. https://doi.org/10.1039/c5dt00600g