Practical approaches to biological inorganic chemistry /
| Other Authors: | , |
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| Language: | English |
| Published: |
Amsterdam, Netherlands :
Elsevier,
2020.
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| Edition: | Second edition. |
| Subjects: | |
| Online Access: | ScienceDirect |
Table of Contents:
- Front Cover; Practical Approaches to Biological Inorganic Chemistry; Copyright Page; Contents; List of Contributors; 1 An overview of the role of metals in biology; Introduction; Essential metal ions and their functions; Toxic metals; Metals in diagnosis and therapeutics; References; Further reading; 2 Introduction to ligand field theory and computational chemistry; Introduction; Introduction to quantum chemistry; Approximations in quantum chemistry; Electronic structure of atoms; Hydrogen atom; Angular momentum; Electron spin; Many-electron atoms; Periodic system of elements; Pauli principle
- Two electrons in two orbitalsElectronic terms; Symmetry; Ligand field theory; Some qualitative considerations; Symmetry in ligand field theory; Some quantitative considerations; Tanabe-Sugano diagrams; Introduction to computational chemistry; The wave function-based methods; The Hartree-Fock method; Post-Hartree-Fock methods; Density functional theory; Density functional approximations; Density functionals and spin states; Computational methods for excited states; Computational methods for biological systems containing transition metal; Concluding remarks; Acknowledgments; References
- 3 Molecular magnetochemistryIntroduction; Origin of magnetism; Contributions to angular momentum in free atoms and ions; Term symbols for free atoms and ions with one electron outside a closed inner shell; Spin-orbit coupling; Term symbols for free atoms and ions with more than one electron outside a closed inner shell; Units and definitions; Magnetic moment and the Bohr magneton; Magnetic field and magnetization; Zeeman effect; Normal Zeeman effect; Anomalous Zeeman effect; Magnetic susceptibility, effective magnetic moment and magnetization saturation
- Curie law for noninteracting paramagnetsBoltzmann treatment of magnetization; Langevin paramagnetism; Brillouin function; Van Vleck equation; Curie constant and spin-only effective magnetic moment; Temperature-independent paramagnetism and the second-order Zeeman effect; Contributions to magnetism in biologically relevant ions; Orbital splitting of transition metal ions in crystal field; Effect of crystal field on magnetic properties of 3d compounds; Dimeric sites: exchange mechanisms and J values; Curie-Weiss law; Superexchange; Spin Hamiltonian; Bleaney-Bowers equation; Diamagnetism
- Experimental methodsMagnetometry; Force methods; SQUID-super conducting quantum interference device; What is measured in the SQUID?; Evans NMR method; Magnetic circular dichroism; Conclusion; Problems; Answers; References; Further reading; 4 EPR spectroscopy; Why electron paramagnetic resonance spectroscopy?; What is electron paramagnetic resonance spectroscopy?; Anisotropy; A comparison of electron paramagnetic resonance versus NMR; Electron paramagnetic resonance spectrometer; What (bio)molecules give electron paramagnetic resonance?