Dynamic NMR studies of restricted arene rotation in the chromiu tricarbonyl thiophene and selenophene complexes
- Iowa State Univ., Ames, IA (United States)
This thesis contains the results of organometallic studies of thiophene and selenophene coordination in transition metal complexes. Chromium tricarbonyl complexes of thiophene, selenophene, and their alkyl-substituted derivatives were prepared and variable-temperature 13C NMR spectra of these complexes were recorded in dimethyl ether. Bandshape analyses of these spectra yielded activation parameters for restricted rotation of the thiophene and selenophene ligands in these complexes. Extended Hueckel molecular orbital calculations (EHMO) of the free thiophene and selenophene ligands and selected chromium tricarbonyl thiophene complexes were performed to better explain the activation barriers of these complexes. The structure of Cr(CO)3(η5-2,5-dimethylthiophene) was established by a single crystal X-ray diffraction study.
- Research Organization:
- Ames Lab., IA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 10190002
- Report Number(s):
- IS-T--1698; ON: DE95001656
- Country of Publication:
- United States
- Language:
- English
Similar Records
Catalytic reactor and organometallic model studies of the mechanism of thiophene hydrodesulfurization
Synthesis, structure, and reactivity of thienyl-, benzothienyl-, and selenylcarbene complexes of rhenium. A new mechanicm of H/D exchange during hydrodesulfurization