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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 9-12: Dieter Cremer Memorial Issue
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Dieter Cremer Memorial

2018 Table of static dipole polarizabilities of the neutral elements in the periodic tableFootnote*

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Pages 1200-1225 | Received 30 Aug 2018, Accepted 01 Oct 2018, Published online: 24 Oct 2018

Figures & data

Table 1. Static scalar dipole polarizabilities (in atomic units) for neutral atoms.

Figure 1. Recommended values from Table  for the atomic polarizabilities (atomic units; estimated uncertainties in parentheses) of elements Z = 1–120. The various blocks of elements are colour-coded: s-block, yellow; p-block, green; d-block, blue; f-block, orange.

Figure 1. Recommended values from Table 1 for the atomic polarizabilities (atomic units; estimated uncertainties in parentheses) of elements Z = 1–120. The various blocks of elements are colour-coded: s-block, yellow; p-block, green; d-block, blue; f-block, orange.

Figure 2. Plot of atomic polarizabilities as a function of atomic number for the p-block elements, together with weighted, nonlinear least-squares fits for all but the 7p elements (Figure (f)) according to empirical power relationships between α and Z. The ordering α(Nh, Fl) < α(Mc, Ts, Og) among the 7p elements is unusual, reflecting large relativistic effects for these atoms.

Figure 2. Plot of atomic polarizabilities as a function of atomic number for the p-block elements, together with weighted, nonlinear least-squares fits for all but the 7p elements (Figure 2(f)) according to empirical power relationships between α and Z. The ordering α(Nh, Fl) < α(Mc, Ts, Og) among the 7p elements is unusual, reflecting large relativistic effects for these atoms.

Figure 3. Plot of atomic polarizabilities as a function of atomic number for the d-block and f-block elements together with weighted, nonlinear least-squares fits according to empirical power relationships between α and Z. Pd, having the closed-shell 4d105s0 electron configuration, was not included in the fit for the 4d elements (Figure (b)). Inset for 6d elements (Figure (d)): expanded view omitting Lr, having an exceptionally large polarizability due to its unique 6d07s27p1/21 electron configuration, and Rf, also having a very large polarizability. A weighted, nonlinear least-squares fit of the remaining ten 6d-elements according to an empirical power relationship between α and Z is shown.

Figure 3. Plot of atomic polarizabilities as a function of atomic number for the d-block and f-block elements together with weighted, nonlinear least-squares fits according to empirical power relationships between α and Z. Pd, having the closed-shell 4d105s0 electron configuration, was not included in the fit for the 4d elements (Figure 3(b)). Inset for 6d elements (Figure 3(d)): expanded view omitting Lr, having an exceptionally large polarizability due to its unique 6d07s27p1/21 electron configuration, and Rf, also having a very large polarizability. A weighted, nonlinear least-squares fit of the remaining ten 6d-elements according to an empirical power relationship between α and Z is shown.

Figure 4. Plot of atomic polarizabilities as a function of ionisation energy for the elements of Groups 1–6. For the Group 1 (Figure (a)) and Group 2 (Figure (b)) elements, weighted, nonlinear least-squares fits according to empirical power relationships between α and IE are included.

Figure 4. Plot of atomic polarizabilities as a function of ionisation energy for the elements of Groups 1–6. For the Group 1 (Figure 4(a)) and Group 2 (Figure 4(b)) elements, weighted, nonlinear least-squares fits according to empirical power relationships between α and IE are included.

Figure 5. Plots of atomic polarizabilities as a function of ionisation energy for the elements of IUPAC Groups 7–12 together with weighted, nonlinear least-squares fits according to empirical power relationships between α and IE. Pd was not included in the data fit for the Group 10 elements (Figure (d)) due to its unique 4d105s0 valence electron configuration.

Figure 5. Plots of atomic polarizabilities as a function of ionisation energy for the elements of IUPAC Groups 7–12 together with weighted, nonlinear least-squares fits according to empirical power relationships between α and IE. Pd was not included in the data fit for the Group 10 elements (Figure 5(d)) due to its unique 4d105s0 valence electron configuration.

Figure 6. Plot of atomic polarizabilities as a function of ionisation energy for the elements of IUPAC Groups 13–18 together with weighted, nonlinear least-squares fit according to empirical power relationships between α and IE (Groups 13–14; Figure (a and b))) and empirical exponential relationships between α and IE (Groups 15–18; Figure (c–f))). Lv is not included among the Group 16 (Figure (a)) elements since its polarizability is not known.

Figure 6. Plot of atomic polarizabilities as a function of ionisation energy for the elements of IUPAC Groups 13–18 together with weighted, nonlinear least-squares fit according to empirical power relationships between α and IE (Groups 13–14; Figure 6(a and b))) and empirical exponential relationships between α and IE (Groups 15–18; Figure 6(c–f))). Lv is not included among the Group 16 (Figure 6(a)) elements since its polarizability is not known.