Structure of simple molecules

Wang P-K, Slichter C P and Sinfelt J FI 1984 NMR study of the structure of simple molecules adsorbed on metal surfaces C2FI2 on Pt Phys. Rev. Lett. S3 82-5... 

The Structures of Simple Molecules.—The foregoing considerations throw some light on the structure of very simple molecules in the normal and lower excited states, but they do not permit such a complete and accurate discussion of these questions as for more complicated molecules, because of the difficulty of taking into consideration the effect of several unshared and sometimes unpaired electrons. Often the bond energy is not great enough to destroy s-p quantization, and the interaction between a bond and unshared electrons is more important than between a bond and other shared electrons because of the absence of the effect of concentration of the eigenfunctions. 

As examples we may discuss CO, CN, Nj and NO. CO might be composed of normal or excited atoms, or even of ions. A neutral oxygen atom can form only two bonds. Hence a normal carbon atom, 3P, which can also form two bonds, is at no disadvantage. We can write the following reaction, using symbols similar to those of Lennard-Jones29 and Dunkel,30 whose treatments of the electronic structure of simple molecules have several points of similarity with ours... 

Figure 1-17 shows three ways to illustrate the stereochemical structures of simple molecules. The perspective diagram specifies stereochemistry unambiguously, but bond angles and center-to-center bond lengths are better represented with ball-and-stick models. In space-... 

M M. Kotani, K. Ohno, and K. Kayama, in Quantum Mechanics of Electronic Structure of Simple Molecules , Handbuch der Physik, vol. XXXVII/2, Springer, Heidelberg, 1961 A. C. Hurley, Rev. Mod. Phys., 1963, 35, 448. 

Used in this way the Lewis structures of simple molecules, anions and cations of the Main Group elements, including acids and oxyanions. 

Steps in Using the VSEPR Theory to Predict the Structure of Simple Molecules, Cations and Anions... 

M. Kotani, K. Ohno, K. Kayama, Quantum mechanics of electronic structure of simple molecules, in S. Fliigge (Ed.), Encyclopedia of Physics, Springer-Verlag, Berlin, 1961, pages 1-172. 

Dipole moments provide two kinds of information about molecular structure. In the first place, they tell us the extent to which a bond is polarized, a matter of importance in connection with inter molecular forces. Later we will see many examples of how interactions between dipoles and interactions between dipoles and ions contribute to an understanding of biological systems. Secondly, dipole moments provide valuable clues to the structures of simple molecules. For example, the fact that the water molecule has an appreciable dipole moment shows that the molecule is not linear but bent. Conversely, the zero dipole moment of carbon dioxide, CO2, suggests that this molecule is linear. 

Simonetta, M., Gianinelti, E. In P. O. Ldwdin and B. Pullman (Editors), Molecular Orbitals in Chemistry, Physics and Biology- New York Academic Press 1964 see also Kotani, M., Ohno, K., Kayama, K. Quantum Mechanics of Electronic Structure of Simple Molecules. In 5. Flteegge (Editor), Hand-buch der I%ysik, Vol. XXXVII/2, Molek le II. Berlin-Gottingen-Heidelberg Springer 1961. 

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