2021
DOI: 10.1016/j.comptc.2021.113235
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Computational studies of cis– and trans–isomer preferences of low-spin d6 [M(DABF)2A2]+ and [M(CO)4A2]+ complexes (M = Co, Rh, Ir; A = anionic ligand): spectator ligand π-backbonding and DFT exchange

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Cited by 2 publications
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“…It has been noted before 50 that the existence of the thermodynamic trans influence 51 makes it surprising that six-coordinate pseudo-octahedral complexes of the MA 2 B 4 type ever form trans isomers. If A is more trans -influencing than B, the A ligands should prefer cis positions; if B is more trans -influencing than A, the B ligands should minimize B–M–B trans -positioning, again giving a preference for the cis geometry.…”
Section: Resultsmentioning
confidence: 99%
“…It has been noted before 50 that the existence of the thermodynamic trans influence 51 makes it surprising that six-coordinate pseudo-octahedral complexes of the MA 2 B 4 type ever form trans isomers. If A is more trans -influencing than B, the A ligands should prefer cis positions; if B is more trans -influencing than A, the B ligands should minimize B–M–B trans -positioning, again giving a preference for the cis geometry.…”
Section: Resultsmentioning
confidence: 99%