view article
Figure 3
The HOMOs of the linear monoanions (AuCl2− and AuBr2−) and IX2− (X = I, Br or Cl) calculated using GAUSSIAN16W (B3LYP, LanL2DZ). Details are summarized in Table S4 of the supporting information. The atomic parameters of the IX2− anions were taken from the CCDC with the following deposition numbers: 2217843 (I3−) (Oka et al., 2023View full citation), 2298691 (IBr2−) (Funatsu et al., 2023View full citation) and 1211415 (ICl2−) (Visser & Vos, 1964View full citation).

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 81| Part 10| October 2025| Pages 570-576
https://doi.org/10.1107/S2053229625008204
Follow Acta Cryst. C
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS