Orbital coefficients definition

Sigma (a) bonds Sigma bonds have the orbital overlap on a line drawn between the two nuclei, simple cubic unit cell The simple cubic unit cell has particles located at the corners of a simple cube, single displacement (replacement) reactions Single displacement reactions are reactions in which atoms of an element replace the atoms of another element in a compound, solid A solid is a state of matter that has both a definite shape and a definite volume, solubility product constant (/ p) The solubility product constant is the equilibrium constant associated with sparingly soluble salts and is the product of the ionic concentrations, each one raised to the power of the coefficient in the balanced chemical equation, solute The solute is the component of the solution that is there in smallest amount, solution A solution is defined as a homogeneous mixture composed of solvent and one or more solutes. 

A standard type of variable used in the definition of an orbital is a set of linear expansion coefficients. Given the basis functions a gen-... 

A full quantum mechanical calculation of the simplest dimer ion is a formidible task (—e.g., [F—H... H—F] with 21 electrons). We are forced to examine the matter using various approximations. Using a molecular orbital approach we can view the problem as one of five electrons associated with the several atomic cores. For [F—H... H—F], the amplest MO could be built from 2 P orbitals on F and Is orbitals on H, as in Table I. By symmetry, the orbital coefficients for the two F atomic orbitals will be identical in magnitude as will those of the two H atomic orbitals. The orbital coefficients, cit, can thus be chosen to be positive definite if the sign convention in Table I is used. The MO s should be... 

As the chemist has gained his sea legs in the use of wave mechanics he has attempted to define covalent and ionic character in terms of wave functions. The new point of view is presented, for example, by Coulson, who maintains, there are two distinct definitions of a covalent bond (447, p. 145). He proceeds to describe the bond wave function, first by a molecular orbital type approximation, and then by a valence bond type approximation. In either case the approximate wave functions consist of linear combinations of atomic orbitals. Partial ionic bonding is revealed by the magnitudes of coefficients which imply asymmetry of electron distribution. 

Electronic circular dichroism (CD) results from different absorption (molar absorption coefficient i and e ) of left- and right-circularly polarized light by the electronic subsystem of the molecule. CD has the same electronic origin as ordinary absorption. Therefore, CD spectra are interpreted in terms of the same concepts as absorption spectra, namely electronic transitions and excited states of definite chromophores For the discussions of electronic structures and excitations of complex chromophores molecular orbital (MO) theory provides an adequate framework. 

---