Nnteoria del orbital molecular pdf

An introduction to molecular orbital theorymolecular orbital theory lecture 1 the bohr model prof g. Molecular orbital theory mo a molecule is formed by the overlap of atomic orbitals to form molecular orbitals, electrons are then distributed into mos. Atomic orbitals, diatomic molecules, electronic states of molecules, hybridization, band intensities, triatomic molecules, selected molecules. Each sp3 orbital has one large lobe and a smaller one of opposite sign pointing in the opposite direction with a node at the nucleus. For the diatomic species shown in figure 95a, the two 2p orbitals are lower in energy than the 2p orbital. According to quantum mechanics, an electron bound to an atom cannot possess any arbitrary energy or. Teoria dos orbitais moleculares tom nas moleculas, os eletrons encontramse nos orbitais moleculares assim como nos atomos, os eletrons sao. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. Molecular orbital calculations indicate, however, that for o 2, f 2, and hypothetical ne 2 molecules, the 2p orbital is. A bonding orbital concentrates electron density in the region between a given pair of atoms, so that its electron density will tend to attract each of the. Ayala 4 resultado, este orbital tem caracteristicas ligantes e denominase 1s. Molecular orbitals one approach to understanding the electronic structure of molecules is called molecular orbital theory. Mulliken in 1932 as an abbreviation for oneelectron orbital.

An sp3 hybrid orbital is the combination of one 2s orbital with three 2p orbitals. Molecular orbital theory pdf 285p this book was designed primarily for advancedundergraduate and firstyear graduate students as an introduction to molecular orbital theory. Orbital 1s 2s 2p 2p 2p n 3 3 3 3 3 3333 l 0 1 1 1 2 2222 ml 0 10 1 2 10 1 2 orbital 3s 3p3p 3p 3d3d 3d3d 3d an introduction to molecular orbital theory lecture 2 representing atomic orbitals the schrodinger equation and wavefunctions. Mo theory assumes that the valence electrons of the atoms within a molecule become the valence electrons of the entire molecule. Chapter 2 concepts of bonding and orbital interaction. In chemistry, a molecular orbital mo is a mathematical function describing the wavelike behavior of an electron in a molecule. A palavra orbital foi introduzida por mulliken em 1932. A partial molecular orbital energylevel diagram for the hf molecule. These are often divided into three types, bonding, antibonding, and nonbonding. Orbitals must have the same symmetry same irreducible representation to have nonzero overlap. In molecularorbitaltheory,weimaginethat electronic.