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Chapter 6. Electronic Structures Electrons are the "glue" that holds the nuclei together in the chemical bonds of molecules and ions. Ofcourse, it is the nmuclei's positive charges that bind the electrons to the nuclei. The competitions among Coulomb repulsions and attractions as well as the existence of non-zero electronic and nuclear kinetic energies make the treatment of the full electronic-nuclear Schrodinger equation an extremely difficult problem. Electronic structure theory deals with the quantum states of the electrons, usually within the born- Oppenheimer approximation(.e, with the nuclei held fixed. It also addresses the forces that the electrons presence creates on the nuclei; it is these forces that determine the geometries and energies of various stable structures of the molecule as well as transition states connecting these stable structures. Because there are ground and excited electronic states, each of which has different electronic properties, there are different stable-structure and transition-state geometries for each such electronic state. electroni structure theory deals with all of these states,their muclear structures, and the spectroscopies(e.g, electronic, vibrational, rotational) connecting them . Theoretical treatment of electronic structure: atomic and molecular orbital Theory In Chapter 5s discussion of molecular structure, I introduced you to the strategies that theory uses to interpret experimental data relating to such matters, and how and why1 Chapter 6. Electronic Structures Electrons are the “glue” that holds the nuclei together in the chemical bonds of molecules and ions. Of course, it is the nuclei’s positive charges that bind the electrons to the nuclei. The competitions among Coulomb repulsions and attractions as well as the existence of non-zero electronic and nuclear kinetic energies make the treatment of the full electronic-nuclear Schrödinger equation an extremely difficult problem. Electronic structure theory deals with the quantum states of the electrons, usually within the Born￾Oppenheimer approximation (i.e., with the nuclei held fixed). It also addresses the forces that the electrons’ presence creates on the nuclei; it is these forces that determine the geometries and energies of various stable structures of the molecule as well as transition states connecting these stable structures. Because there are ground and excited electronic states, each of which has different electronic properties, there are different stable-structure and transition-state geometries for each such electronic state. Electronic structure theory deals with all of these states, their nuclear structures, and the spectroscopies (e.g., electronic, vibrational, rotational) connecting them. I. Theoretical Treatment of Electronic Structure: Atomic and Molecular Orbital Theory In Chapter 5’s discussion of molecular structure, I introduced you to the strategies that theory uses to interpret experimental data relating to such matters, and how and why
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