Benchmarking the Fluxional Processes of Organometallic Piano-Stool Complexes

Benchmarking the Fluxional Processes of Organometallic Piano-Stool Complexes

The correlation consistent Composite Approach for transition metals (ccCA-TM) and density functional theory (DFT) computations have been applied to investigate the fluxional mechanisms of cyclooctatetraene tricarbonyl chromium ((COT)Cr(CO)<sub>3</sub>) and 1,3,5,7-tetramethylcyclooctatet...

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Bibliographic Details
Main Authors: Nathan C. Frey, Eric Van Dornshuld, Charles Edwin Webster
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Molecules
Subjects:
fluxionality
piano-stool complexes
variable-temperature NMR
DFT
ccCA-TM
computational benchmarking and calibration
Online Access:https://www.mdpi.com/1420-3049/26/8/2310

Internet

https://www.mdpi.com/1420-3049/26/8/2310

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