Water bending vibration

For example, the in-phase stretch symmetry coordinate and the bending coordinate of water belong to the same symmetry species, which means the in-phase stretch vibration may bend the molecule somewhat and vice versa. However, the out-of-phase stretch vibration (for small amplitudes) does not change the bond angle at all since these coordinates belong to different symmetry species. Furthermore, since there is only one B2 symmetry coordinate for water, this means that the B2 normal coordinate for water is identical to the B2 out-of-phase stretch symmetry coordinate for water. 

While for a long time the radio line near 22 GHz was the only known water maser transition, in recent years various other water maser lines have been detected at millimeter and submillimeter wavelengths, some of them from the vibrationally excited bending mode. Masers can be emitted by several molecules The following species have been observed in stimulated emission from astronomical environments OH, CH, H22CO, H2O, NH3, CH3OH, SiS, HC3N, SiO, HCN, H. 

Intensive use of cross-terms is important in force fields designed to predict vibrational spectra, whereas for the calculation of molecular structure only a limited set of cross-terms was found to be necessary. For the above-mentioned example, the coupling of bond-stretching (f and / and angle-bending (B) within a water molecule (see Figure 7-1.3, top left) can be calculated according to Eq. (30). 

Figure 5-10 Partial MM3 Output as Related to the Vibrational Spectrum of H2O. The experimental values of the two sti etching and one bending frequencies of water are 3756, 3657, and 1595 cm. The IR intensities are all very strong (vs).

Display water as a ball-and-spoke model. How many different vibrations are there Explain. One after the other, animate these vibrations. For each, record the vibrational frequency and provide a description of the atomic motions. What appears to be easier (lower frequency), motions primarily associated with bond stretching or with angle bending ... 

Repeat the analysis with deuterium oxide (D2O). Are the vibrational frequencies the same, larger or smaller than those in water Rationalize your observations. Are the changes in vibrational frequencies greatest for bond stretching or angle bending motions ... 

Anhydrous quinazoline hydrochloride absorbs one molecule of water readily, and. the product is difficult to dehydrate completely even in a high vacuum at 60°. Infrared spectral data suggest that this water is covalently bound because of (o) the absence of several bands in the spectrum of the hydrate which are present in the spectrum of the anhydrous hydrochloride and (6) the presence of extra bands at 1474 and 1240 cm that have been attributed to C— H and O— H bending vibrations of the — CHOH group. 

A nonlinear molecule consisting of N atoms can vibrate in 3N — 6 different ways, and a linear molecule can vibrate in 3N — 5 different ways. The number of ways in which a molecule can vibrate increases rapidly with the number of atoms a water molecule, with N = 3, can vibrate in 3 ways, but a benzene molecule, with N = 12, can vibrate in 30 different ways. Some of the vibrations of benzene correspond to expansion and contraction of the ring, others to its elongation, and still others to flexing and bending. Each way in which a molecule can vibrate is called a normal mode, and so we say that benzene has 30 normal modes of vibration. Each normal mode has a frequency that depends in a complicated way on the masses of the atoms that move during the vibration and the force constants associated with the motions involved (Fig. 2). 

It is apparent from Fig. 4 that the normal modes of vibration of the water molecule, as calculated from the eigenvectors, can be described approximately as a symmetrical stretching vibration (Mj) and a symmetrical bending vibration... 

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