CALCULATIONS AND GAS PHASE MEASUREMENTS OF THE COMPLEX FORMED WITH FERROCENE AND HCL

Loading...
Thumbnail Image

Date

2009

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

Calculations for the Ferrocene and HCl complex using MP2/6-31+G(d) on C,H,Cl and Hay-Wadt VDZ (n+1) core potential on Fe indicate preferred binding of HCl along the b-axis of ferrocene, with hydrogen pointing to Iron. Several transitions have been measured using a Flygare-Balle microwave spectrometer in the 4-12 MHz range showing chlorine quadrupole splitting consistent with the complex. The calculated structure and quadrupole coupling constants will be presented with recent progress on measurements.

Description

Author Institution: DEPARTMENT OF CHEMISTRY, UNIVERISTY OF ARIZONA, TUCSON, AZ

Keywords

Citation