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Resonant bonding

Using the calculated phonon modes of a SWCNT, the Raman intensities of the modes are calculated within the non-resonant bond polarisation theory, in which empirical bond polarisation parameters are used [18]. The bond parameters that we used in this chapter are an - aj = 0.04 A, aji + 2a = 4.7 A and an - a = 4.0 A, where a and a are the polarisability parameters and their derivatives with respect to bond length, respectively [12]. The Raman intensities for the various Raman-active modes in CNTs are calculated at a phonon temperature of 300K which appears in the formula for the Bose distribution function for phonons. The eigenfunctions for the various vibrational modes are calculated numerically at the T point k=Q). [Pg.55]

It is even possible for an electron to move back and forth across all of the resonance bonds—from one end of the molecule to another. This lets the electron slosh back and forth like water in a bathtub. In... [Pg.7]

Getting more creative with the chemistry, a chemist can add other desirable features to these molecules. Adding long chains of hydrocarbons can help it mix better with suntan oils to spread more easily on the skin. The resonance bonds can be modified a little bit to get a broader absorption range, expanding into the longer wave UV-A region. [Pg.8]

As you can see, there are many molecules that will absorb ultraviolet light. There are many more in use than I have described here. But they all have resonance bonds in common. [Pg.10]

Notice the alternating double and single bonds between the carbon atoms. These are called conjugated bonds, or resonance bonds. The electrons in those bonds are not locked on to one atom—instead they spend their time bouncing from atom to atom. This gives the effect of something in between a double bond and a single bond, more of a one-and-a-half bond. [Pg.108]

Table 4. Energies of resonating bonds in alkaline-earth metals... Table 4. Energies of resonating bonds in alkaline-earth metals...
The short-range valence or chemical forces resonance bonding Virtually by definition, the forces between molecules cannot be ascribed to covalent bonds such as those that link atoms within molecules. Hence, such forces may be (and often are) tautologically labeled as noncovalent to distinguish them from the strongest 2c/2e covalent bonds that underlie the formation of molecules. (Nearly as uninformative is the designation weak bonding, which... [Pg.591]

D—Ionic bonding needs a metal and a nonmetal (usually). Only the acetate ion has resonating bonds (a and Jt). [Pg.317]

The next twelve columns (six pairs up, down, left, right, in, out) describe the bonds of the atom in column one. The first number in each pair is the row index, identifying the atom bonded to the row atom. The second number is one of five bond types (1 single, 2 double, 3 triple, 16 resonant bond,... [Pg.248]

Summarizing, it suffices to mention that, instead of these ambiguities to which the concept of a fractional ionic character of a resonance bond led in the case of the molecules CsF, SrO, BaO, the conclusion of the quanticule-polarization interpretation reads as follows the quantum configuration is Cs+F-, Sr +0 , Ba +0 , the degree of polarity is 0.699, 0.483, 0.426 respectively. [Pg.103]

One problem with the network equations is that they can, on occasion, give rise to negative bond valences which have no physical significance (expect to indicate that, from a chemical point of view, the bond should not exist). Rutherford (1998) has explored the resonance bond model as an alternative to the use of the loop equation (Section 14.4) while Rao and Brown (1998) have suggested using the method of maximum entropy (Section 11.2.2.1). [Pg.243]

Boison, M. B., Gibbs, G. V., and Zhang, Z. G. (1988). Resonant bond numbers A graph theoretic study of bond length variations in silicate crystals. Phys. Chem. Miner. 15, 409-15. [Pg.255]

Rutherford, J. S. (1998). Theoretical prediction of bond valence networks II. Comparison of the graph matrix and resonant bond approach. Acta Cryst. B54, 204-10. [Pg.265]

This value for the bond number is the one given by the statistical theory of resonating bonds described in the following seetion. A more detailed discussion of boron is given by L. Pauling and B. Kamb, Laue Festschrift, 7. Krist., in press. [Pg.364]

The statistical resonating-bond calculation leads to the following... [Pg.375]

A Resonating-Bond Treatment of Ferrocene.—The electronic structure of ferrocene has been treated by many investigators.124 We shall discuss it in terms of resonating covalent bonds.125... [Pg.386]

The study of proton nuclear magnetic resonance spectra has shown that a shift in frequency occurs that can be accounted for by a positive electron spin density of 0.14 on each carbon atom 128 leaving 0.6 on the nickel atom. The value of the spin density on the carbon atoms given by the resonating-bond calculation is 0.152, in good agreement with the observed value. [Pg.389]


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See also in sourсe #XX -- [ Pg.417 ]




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