Skip to main content

Table 2 The dipole moment (μ), polarizability \( \left({a}_{xx},\kern0.5em {a}_{yy},\kern0.5em {a}_{\mathrm{zz}},\kern0.5em \overline{a}\right) \), zero-point energy (ZPE) and maximum and minimum bond lengths (Rmax, Rmin) of the most stable Ag n V (n = 1–12) clusters and coordination number and average coordination bond length (Rv) for V atom

From: Probing the Structural, Electronic, and Magnetic Properties of Ag n V (n = 1–12) Clusters

Clusters μ (D) a xx (a.u.) a yy (a.u.) a zz (a.u.) \( \overline{a} \)(a.u.) ZPE(eV) N Rmax (Å) Rmin (Å) Rv(Å)
AgV 2.07 100.40 100.40 155.87 118.89 0.01 1 2.61 2.61 2.61
Ag2V 0.89 124.35 182.31 196.44 167.70 0.03 2 2.73 2.72 2.73
Ag3V 1.42 135.44 277.87 178.70 197.34 0.04 3 2.77 2.71 2.76
Ag4V 0.82 132.08 340.88 230.06 234.34 0.06 4 2.79 2.70 2.73
Ag5V 0.62 327.29 292.90 165.77 261.99 0.08 5 2.82 2.70 2.74
Ag6V 0.74 332.60 325.89 245.02 301.17 0.10 6 2.91 2.72 2.77
Ag7V 0.21 391.20 340.25 258.36 329.94 0.12 7 3.02 2.73 2.80
Ag8V 0.35 417.09 378.36 276.02 357.16 0.14 8 2.88 2.77 2.79
Ag9V 0.41 423.10 423.10 300.90 382.37 0.16 9 2.94 2.75 2.80
Ag10V 0.77 424.83 364.25 451.18 413.42 0.18 10 3.01 2.76 2.79
Ag11V 0.59 402.07 440.99 442.18 428.41 0.20 11 3.13 2.75 2.77
Ag12V 0 440.39 439.34 441.45 440.39 0.22 12 3.04 2.76 2.77