Electron density diagram

Streitwieser, A. and P. H. Owens. 1973. Orbital and Electron Density Diagrams. New York Macmillan. 

A. Streitwieser, Jr. and P. H. Owens, Orbital and Electron Density Diagrams. Macmillan, New York, 1973 L. C. Snyder and H. Basch, Molecular Wave Functions and Properties. Wiley (Interscience), New York, 1972. 

The TT-electron density diagram of 7-azaindole (94), calculated by the LCAO-MO method by Bochvar et is in agreement with... 

The observed dipole moments of quinazoline and 2-methyIquinazoline in benzene are 2.2 D, in good agreement with calculated values (2.55 D). Calculated electron densities vary markedly with the method used. The electron density diagram which gives dipole moments in agreement with experiment is shown below. 

An atomic orbital is a function ip) that defines the distribution of electron density (ip ) in space. Orbitals are represented by electron density diagrams or boundary surface diagrams. 

The values given by Paidit (3) and Goldschmidt (4) have recently been criticized by Gourrary and Adrian [5a) who proposed a new set of data based on the electron-density diagram of solid NaCl. 

Fig. II.2. Water is used to illustrate the atomic coordinate systems used in the additivity scheme for atom susceptibilities. Also shown are contour lines for the overall electron density measured in units of electrons per cubic atomic unit (ao = 0.529 A). The contour lines have been taken from Streitwieser, Andrew, Jr., Owens. Peter H. Orbital and electron density diagrams. New York McMillan and Co. 1973...

Figure 7.16 Electron probability density in the ground-state H atom. A, An electron density diagram shows a cross section of the H atom. The dots, each representing the probability of the electron being within a tiny volume, decrease along a line outward from the nucleus. B, A plot of the data in A shows that the probability density decreases with distance from the nucleus but does not reach zero (the thickness of the line makes it appear to do so). C, Dividing the atom s volume into thin, concentric, spherical layers (shown in cross section)...

The electron s wave function (iK atomic orbital) is a mathematical description of the electron s wavelike behavior in an atom. Each wave function is associated with one of the atom s allowed energy states. The probability density of finding the electron at a particular location is represented by An electron density diagram and a radial probability distribution plot show how the electron occupies the space near the nucleus for a particular energy level. Three features of an atomic orbital are described by quantum numbers size (n), shape (/), and orientation (m/). Orbitals with the same n and / values constitute a sublevel sublevels with the same n value constitute an energy level. A sublevel with / = 0 has a spherical (s) orbital a sublevel with / = 1 has three, two-lobed (p) orbitals and a sublevel with / = 2 has five, multi-lobed (d) orbitals. In the special case of the H atom, the energy levels depend on the n value only. 

Distinguish between i / (wave function) and i (probability density) understand the meaning of electron density diagrams and radial probability distribution plots describe the hierarchy of quantum numbers, the hierarchy of levels, sublevels, and orbitals, and the shapes and nodes of s, p, and d orbitals and determine quantum numbers and sublevel designations ( 7.4) (SPs 7.4-7.6) (EPs 7.35-7.47)... 

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