A Theoretical Study of the NMR Spin—Spin Coupling Constants of the Complexes [(NC)5Pt—Tl(CN)n]n- (n = 0—3) and [(NC)5Pt—Tl—Pt(CN)5]3-: A Lesson on Environmental Effects.

Solvent Effects on 195Pt and 205Tl NMR C

Solvent Effects on 195Pt and 205Tl NMR Chemical Shifts of the Complexes [(NC)5PtTl(CN)n]n− (n=0–3), and [(NC)5PtTlPt(CN)5]3− Studied by Relativistic Density Functional Theory

✍ Jochen Autschbach; Boris Le Guennic 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 156 KB 👁 1 views

## Abstract The ^295^Pt and ^205^Tl NMR chemical shifts of the complexes [(NC)~5~PtTl(CN)~__n__~]^__n__−^ __n__=0–3, and of the related system [(NC)~5~PtTlPt(CN)~5~]^3−^ have been computationally investigated. It is demonstrated that based on relativistically optimized geometries, by applying an