Table of Contents
Microwave Spectra and Structures of Iron Carbonyl Compounds
Preview
Methods of Structural Determination
Microwave Spectroscopy
PPT Slide
Microwave Studies
Structure Determination from Microwave Spectra
Structure Determination from Microwave Spectra
DFT vs. HF
DFT methods
DFT Methods
DFT methods
DFT Methods
Iron Carbonyl Compounds
Iron Carbonyl Compounds
Iron Tetracarbonyl Dihydride
Previous Work on H2Fe(CO)4
Fourier Transform Spectroscopy
Microwave Spectrum of H2Fe(CO)4
Microwave Spectrum of H2Fe(CO)4
Rotational constants for the measured isotopomers
Structural Parameters from the (r0) least-squares fit
Kraitchman (rs) Structure
Structural Parameters for H2Fe(CO)4
Structural Comparisons for H2Fe(CO)4
Experimental vs. Theoretical Isotope Effects
Potential Energy Surface of the Iron-Hydrogen Stretch
Potential Energy Surface of the H-Fe-H bend
Comparison of HOsH and HFeH Bending Potentials
C2H4Fe(CO)4
Previous Work On C2H4Fe(CO)4
The J = 3 ? 2 region of the microwave spectrum of C2H4Fe(CO)4
Hamiltonian parameters for the main and 13C isotopomers
A ‘crude’ structure fit can provide a good prediction for the next isotopomer
Structural Parameters for C2H4Fe(CO)4
Basic Structure of C2H4Fe(CO)4
Structural Changes in Ethylene Upon Complexation to Iron
Comparison of C2H4Fe(CO)4 Structural Parameters
Norbornadiene Iron Tricarbonyl C7H8Fe(CO)3
Microwave Spectrum of Norbornadiene Iron Tricarbonyl
Future Directions
More information
Acknowlegements
|