Jump to main content
Jump to site search

Volume 124, 2003
Previous Article Next Article

Spiers Memorial Lecture

The quantum chemistry of d- and f-element complexes: From an approximate existence to functional happiness

Author affiliations

Abstract

The field of modern quantum inorganic chemistry is just over 50 years old, dating back to 1951, when quantitative LCAO molecular orbital theory was developed and ferrocene was discovered. This Lecture provides a survey of the development of the field through about 1980, which has led to its current state. The application of modern quantum chemical techniques are illustrated via two disparate examples from the authors' research group. First, the recent discovery of uranium-noble gas bonds is discussed including the synergy between the theoretical and experimental investigations of this phenomenon. New theoretical results using coupled-cluster [CCSD(T)] methodology is contrasted to the original scalar-relativistic density functional theory results. Second, new applications of time-dependent density functional theory to the rich photochemistry of a dinuclear organometallic complex, (η5–C5H5)2Fe2(μ-CO)2(CO)2, are discussed.

Back to tab navigation

Additions and corrections

Article information


Submitted
12 May 2003
Accepted
14 May 2003
First published
29 May 2003

Faraday Discuss., 2003,124, 1-24
Article type
Paper

Spiers Memorial Lecture

B. E. Bursten, M. L. Drummond and J. Li, Faraday Discuss., 2003, 124, 1
DOI: 10.1039/B305317M

Social activity

Search articles by author

Spotlight

Advertisements