Molecular Symmetry || Appendix 11: H2O Molecular Orbital Calculation in C2v Symmetry

✍ Scribed by Willock, David J.

• Publisher: John Wiley & Sons, Ltd
• Year: 2009
• Tongue: English
• Weight: 330 KB
• Edition: 1
• Category: Article
• ISBN: 0470853476
• DOI: 10.1002/9780470747414.app11

✦ Synopsis

Symmetry and group theory provide us with a rigorous method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful concept that underlies many apparently disparate phenomena. Symmetry allows us to accurately describe the types of bonding that can occur between atoms or groups of atoms in molecules. It also governs the transitions that may occur between energy levels in molecular systems, leading to a predictive understanding of the absorption properties of molecules and hence their spectra.

Molecular Symmetry lays out the formal language used in the area, with illustrative examples of particular molecules throughout. It then applies the ideas of symmetry and group theory to describe molecular structure, bonding in molecules and to consider the implications in spectroscopy. Topics covered include:

• Symmetry  elements

  • Symmetry operations and products of operations

    • Point groups used with molecules

      • Point group representations, matrices and basis sets

        • Reducible and irreducible representations

          • Applications in vibrational spectroscopy

            • Molecular orbital theory of chemical bonding

Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy and bonding in a clear and accessible manner. Each chapter ends with a summary of learning points, a selection of self-test questions, and suggestions for further reading. A set of appendices includes templates for paper models which will help students understand symmetry operations and cover key aspects of the material in depth.

Molecular Symmetry is a must-have introduction to this fundamental topic for students of chemistry, and will also find a place on the bookshelves of postgraduates and researchers looking for a broad and modern introduction to the subject.