Nnteoria del orbital molecular pdf

An introduction to molecular orbital theorymolecular orbital theory lecture 1 the bohr model prof g. An sp3 hybrid orbital is the combination of one 2s orbital with three 2p orbitals. Orbitals must have the same symmetry same irreducible representation to have nonzero overlap. 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. If an orbital has s 0 with all other orbitals in the molecule, then it is a 100% nonbonding orbital. In chemistry, a molecular orbital mo is a mathematical function describing the wavelike behavior of an electron in a molecule. Atomic orbitals, diatomic molecules, electronic states of molecules, hybridization, band intensities, triatomic molecules, selected molecules. In molecular orbital theory the symmetry properties and relative energies of atomic orbitals determine how these orbitals interact to form molecular. A molecule is a collection of nuclei with the orbitals delocalized over the entire molecule. A partial molecular orbital energylevel diagram for the hf molecule. Molecular orbitals in chemical bonding web del profesor. Chapter 2 concepts of bonding and orbital interaction. Molecular orbital calculations indicate, however, that for o 2, f 2, and hypothetical ne 2 molecules, the 2p orbital is.

We assume that orbital order is the same as that for n2. In molecularorbitaltheory,weimaginethat electronic. Molecular orbital theory mo a molecule is formed by the overlap of atomic orbitals to form molecular orbitals, electrons are then distributed into mos. 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. A palavra orbital foi introduzida por mulliken em 1932. 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.

Ayala 4 resultado, este orbital tem caracteristicas ligantes e denominase 1s. Molecular orbital theory pdf 285p this book was designed primarily for advancedundergraduate and firstyear graduate students as an introduction to molecular orbital theory. Molecular orbital mo theory uses a linear combination of atomic orbitals lcao to represent molecular orbitals resulting from bonds between atoms. Em 1933, a teoria foi aceita pela comunidade cientifica. Teoria dos orbitais moleculares tom nas moleculas, os eletrons encontramse nos orbitais moleculares assim como nos atomos, os eletrons sao. Molecular orbital theory mulliken delocalized orbital approach unoccupied orbital spectroscopic properties ionization, excited states chem 104a, uc, berkeley valence bond theory valence bond theory vbt is a localized quantum mechanical approach to describe the bonding in molecules. S 0 if orbitals have different irreducible representations. Molecularorbitaltheory amoreaccuratetheorythanvalencebondtheoryismolecular orbital. These are often divided into three types, bonding, antibonding, and nonbonding. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. 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. According to quantum mechanics, an electron bound to an atom cannot possess any arbitrary energy or. For the diatomic species shown in figure 95a, the two 2p orbitals are lower in energy than the 2p orbital. Mo theory assumes that the valence electrons of the atoms within a molecule become the valence electrons of the entire molecule.

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