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Transition State Dynamics of Ar n (ClHCl) ( n = 0 − 5): Effects of Complex Formation on the Dynamics and Spectroscopy

✍ Scribed by Lavender, Holly B.; McCoy, Anne B.

Book ID: 126797615
Publisher: American Chemical Society
Year: 2000
Tongue: English
Weight: 124 KB
Volume: 104
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp993027h

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## 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