Dynamic and Static Nature of Br4σ(4c–6e) and Se2Br5σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations

<div>QTAIM-DFA plots of Hb(rc) versus Hb(rc) − Vb(rc)/2 for ABr-∗-ABr (a) and ABr-∗-BBr (b) in Br4σ(4c–6e) of the species in Table <a href="../tab1/">1</a>, together with those of the perturbed structures generated with CIV. Marks and colours for the species are shown in the figure.</div>

Bioinorganic Chemistry and Applications

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Figure 4

Figure 4: Dynamic and Static Nature of Br4σ(4c–6e) and Se2Br5σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations

Figure 4 | Dynamic and Static Nature of Br4σ(4c–6e) and Se2Br5σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations 