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ETD

Digital archive of theses discussed at the University of Pisa

 

Thesis etd-11232021-172019


Thesis type
Tesi di laurea magistrale
Author
NERLI, FRANCESCA
URN
etd-11232021-172019
Thesis title
A combined experimental and computational study for a quantitative characterization of Pt --> C back-donation in Pt(II)-carbene complexes
Department
CHIMICA E CHIMICA INDUSTRIALE
Course of study
CHIMICA
Supervisors
relatore Prof. Ciancaleoni, Gianluca
relatore Prof. Samaritani, Simona
Keywords
  • carbenes
  • chemical bond analysis
  • DFT calculations
  • NMR spectroscopy
  • organometallic synthesis
  • platinum
Graduation session start date
09/12/2021
Availability
Withheld
Release date
09/12/2091
Summary
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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