Computational Study of Coordinated Ni(II) Complex with  High Nitrogen Content Ligands

<table class="table-group" id="tab4"><tr><td><table class="table"><tr><td class="thead-hr" colspan="4"><hr/></td></tr><tr class="thead"><td align="left">Compound</td><td align="center">HOMO/eV</td><td align="center">LUMO/eV</td><td align="center">Energy gap/eV</td></tr><tr><td class="thead-hr" colspan="4"><hr/></td></tr><tr><td align="left"><b>1</b></td><td align="center">−2.48</td><td align="center">−7.53</td><td align="center">5.05</td></tr><tr><td align="left"><b>2</b></td><td align="center">−3.71</td><td align="center">−6.08</td><td align="center">2.37</td></tr><tr class="table-tr"><td colspan="4"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

The frontier orbital energy and their gap.

International Scholarly Research Notices

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Table 4

Table 4: Computational Study of Coordinated Ni(II) Complex with  High Nitrogen Content Ligands 