Analogies among chemical properties of metal surfaces, organometallic molecules, and enzymes
- 1 September 1978
- journal article
- research article
- Published by Taylor & Francis in Critical Reviews in Solid State and Materials Sciences
- Vol. 7 (2), 101-127
- https://doi.org/10.1080/10408437808243434
Abstract
The theorist who plans to study the chemical properties of surfaces from a fundamental electronic point of view is presented with a number of difficult problems. For example, if one focuses on heterogeneous catalysis by metal particles dispersed on a support,1 should the electronic structure of the particles be viewed in terms of the band-structure theory of solid state physics or in terms of the chemical-bond concept of inorganic chemistry? What are the most significant configurations of adsorbates which are precursors to heterogeneous reactivity? Does the supporting material affect chemisorption and catalytic activity? The theorist who calculates electronic structure is accustomed to having the positions and configurations of atoms in a molecule or solid as input to the calculation. Unfortunately, detailed structural information for heterogeneous catalysts is frequently unavailable and is just beginning to be a subject of experimental investigation. In contrast, the molecular structures of transitionmetal coordination complexes involved in ho mogeneous catalysis2 and enzymes involved in biocatalysis are often known to reasonable accuracy.Keywords
This publication has 44 references indexed in Scilit:
- Molecular-orbital studies of transition- and noble-metal clusters by the self-consistent-field-scattered-wave methodPhysical Review B, 1976
- The Contribution of Organometallic Chemistry and Homogeneous Catalysis to the Understanding of Surface ReactionsCatalysis Reviews, 1975
- Self-Consistent-FieldCluster Method for Polyatomic Molecules and SolidsPhysical Review B, 1972
- Zerovalent platinum chemistry. III Properties of Bistriphenylphosphineplatinum(0)Inorganica Chimica Acta, 1970
- Symmetry rules for predicting the course of chemical reactionsTheoretical Chemistry Accounts, 1970
- Conservation of orbital symmetryAccounts of Chemical Research, 1968
- An MO-Theoretical Illumination for the Principle of StereoselectionBulletin of the Chemical Society of Japan, 1966
- Electronegativity. II. Bond and Orbital ElectronegativitiesJournal of the American Chemical Society, 1963
- Quelques aspects de la théorie des orbitales moléculaires (suite et fin)Journal de Chimie Physique et de Physico-Chimie Biologique, 1949
- THE NATURE OF THE CHEMICAL BOND. IV. THE ENERGY OF SINGLE BONDS AND THE RELATIVE ELECTRONEGATIVITY OF ATOMSJournal of the American Chemical Society, 1932