![]() ![]() The wave function describes the wavelike properties of an electron. The mathematical process of combining atomic orbitals to generate molecular orbitals is called the linear combination of atomic orbitals (LCAO). In these diatomic molecules, several types of molecular orbitals occur. Such molecules are called homonuclear diatomic molecules. We will consider the molecular orbitals in molecules composed of two identical atoms (H 2 or Cl 2, for example). Like an atomic orbital, a molecular orbital is full when it contains two electrons with opposite spin. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital ( Ψ 2). This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. Just like electrons around isolated atoms, electrons around atoms in molecules are limited to discrete (quantized) energies. In chemistry, a molecular orbital ( / rbdl /) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. Using quantum mechanics, the behavior of an electron in a molecule is still described by a wave function, Ψ, analogous to the behavior in an atom. Molecular orbital theory describes the distribution of electrons in molecules in much the same way that the distribution of electrons in atoms is described using atomic orbitals. A dihydrogen molecule, H 2, readily forms, because the energy of a H2 H 2 molecule is lower than that of two H atoms. When the atomic orbitals of the two atoms combine, the electrons occupy the molecular orbital of lowest energy, the 1s bonding orbital. Dashed lines connect the parent atomic orbitals with the daughter molecular orbitals. Needs multiple structures to describe resonance A dihydrogen molecule ( H2 H 2) forms from two hydrogen atoms. In the middle of the diagram, the molecular orbitals of the molecule of interest are written. An honors general chemistry computational lab as implemented using three dimensional modeling software journal of chemical education ruddick parrill and petersen 2012 89 11 pp 13581363 abstract. These are uvvisible infra red ir and nuclear magnetic resonance nmr spectroscopies. Predicts the arrangement of electrons in molecules Draw the molecular orbital diagrams for no and no. Predicts molecular shape based on the number of regions of electron density \) : Comparison of Bonding Theories Valence Bond TheoryĬonsiders bonds as localized between one pair of atomsĬonsiders electrons delocalized throughout the entire moleculeĬreates bonds from overlap of atomic orbitals ( s, p, d…) and hybrid orbitals ( sp, sp 2, sp 3…)Ĭombines atomic orbitals to form molecular orbitals (σ, σ*, π, π*)Ĭreates bonding and antibonding interactions based on which orbitals are filled ![]()
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