Table 4. Ab initio computed ground state g-tensors (g_x,y,z1), and first excited g-tensors (g_x,y,z2) along with energy separation between ground to first excited state and angle between ground to first excited KDs for both Dy^III centres in complexes 1 {Cr₂Dy₂}, 3 {Mn₂Dy₂}, 5 {Fe₂Dy₂} and 7 {Al₂Dy₂}.

		Dy1	E KD1 – EKD2 (cm–1)	Angle	Dy2	E KD1 – EKD2 (cm–1)	Angle
1 {Cr2Dy2}	g x1/ g x2	0.28/0.22	27.0	21.8	0.18/0.10	33.9	20.4
	g y1/ g y2	0.47/0.45			0.30/0.26
	g z1/ g z2	18.13/18.10			18.67/17.90
3 {Mn2Dy2}	g x1/ g x2	0.13/1.78	50.2	52.1	0.13/1.78	50.2	52.2
	g y1/ g y2	0.36/5.93			0.36/5.92
	g z1/ g z2	19.35/12.16			19.34/12.16
5 {Fe2Dy2}	g x1/ g x2	0.25/1.26	39.9	25.4	0.18/0.88	44.0	17.3
	g y1/ g y2	0.47/1.40			0.35/0.97
	g z1/ g z2	18.01/15.18			18.09/15.79
7 {Al2Dy2}	g x1/ g x2	0.00/1.02	47.0	35.9	0.00/0.70	43.5	28.3
	g y1/ g y2	0.00/1.62			0.00/0.98
	g z1/ g z2	19.05/16.56			19.00/16.98