Tesi etd-11232021-172019 |
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Tipo di tesi
Tesi di laurea magistrale
Autore
NERLI, FRANCESCA
URN
etd-11232021-172019
Titolo
A combined experimental and computational study for a quantitative characterization of Pt --> C back-donation in Pt(II)-carbene complexes
Dipartimento
CHIMICA E CHIMICA INDUSTRIALE
Corso di studi
CHIMICA
Relatori
relatore Prof. Ciancaleoni, Gianluca
relatore Prof. Samaritani, Simona
relatore Prof. Samaritani, Simona
Parole chiave
- DFT calculations
- platinum
- organometallic synthesis
- carbenes
- chemical bond analysis
- NMR spectroscopy
Data inizio appello
09/12/2021
Consultabilità
Non consultabile
Data di rilascio
09/12/2091
Riassunto
The aim of this work was to characterize the Pt - C chemical bond by a combined experimental and computational study. On this purpose, new carbenes complexes have been synthetized and VT-EXSY experiments were performed to obtain rotational thermodynamic parameters, which were hypothesized to be proportional to the Pt --> C back-donation. On the other side, DFT calculations were carried out to obtain a quantitative picture of donation and back-donation components of Pt - C bond. Consequently, the relationship between computed and spectroscopic measurements were discussed.
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