view article
Figure 7
Wavefunction density surface maps of MOs involved in several of the visible-NIR transitions in a CoN2Cl2 moiety of Co2(Ppz)Cl4, modelled with a 2-(di­methyl­amino­eth­yl)pyridine ligand. Lower left and right: originating HOMO(−3), HOMO(−4), respectively; upper left and right, the receiving LUMO and LUMO(+1), respectively. Blue indicates highest density. Note the translation of wavefunction density from the CoCl2 or CoN2Cl2 unit to the pyridine ring in the excitations.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 78| Part 3| March 2022| Pages 235-243
https://doi.org/10.1107/S2056989022001220
Follow Acta Cryst. E
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS