Near-mode observation

The strongest mode observed near 800 cm 1 is polarized along c and is a totally symmetrical vibration mode (Ai) corresponding to the niobium-oxygen vibrations vs (NbO) of infinite chains (NbOF4 )n running along the c -axis. The mode observed at 615 cm 1 is polarized perpendicular to c and corresponds to the NbF vibrations of the octahedrons of the same chains. The mode at 626 cm 1 is attributed to NbF vibrations of isolated complex ions - NbF 2 . The lines at 377, 390 and 272 cm 1 correspond to deformation modes 8(FNbF) of the two polyhedrons. 

SFG peak intensities of hydrogen-bonded OH modes observed in alkaline solution (Fig. 16b) were higher than those observed in the neutral solution (Fig. 16a), while that of the free OH seemed to be nearly the same. The bond corresponding to liquid-like water, which was just a shoulder in Fig. 16(a) became a noticeable peak in Fig. 16(b). On the other hand, the shape of the SFG spectrum observed in acidic solution (Fig. 16c) is totally different from those observed in neutral (Fig. 16a) and alkaline solutions (Fig. 16b). The peak of ice-like water was hardly observed and the SFG signal with a broad shape was observed around 3400-3700 cm . ... 

The most intense band in the spectmm is found near 765 cm and a companion band near 698 cm . These bands are again identical to those modes observed in the monomer and are consistent with a monosubstituted ring system. 

Herzberg-Teller Versus Franck-Condon Activity in [Ru(bpy)3]. The vibrational satellite structure resolved in the emission from state 11) is clearly different to the emission structure connceted with state II). This is demonstrated in Fig. 12a,b (cf. also the time-resolved spectra shown in Fig. 16). Several vibrational satellites occur only in the spectrum from state 11) and are not resolved in the state III) emission. Prominent modes with this behavior are found, for example, at 296, 349, 370, 439, 477, 1015, 1569 cm" (see Fig. 12a Table 4). Most of these modes are IR active [212]. On the other hand, a number of dominant modes observed in the emission from state II) (Fig. 12b) are also seen in the state (I) emission (e.g., 158,667,767,1029,1174,1275,1325,1495 cm" see also Table 4). Nearly aU of these vibrations exhibit a Raman activity with strong resonance enhancements, when exciting into the MLCT states [106,211]. 

Figure Bl.4.9. Top rotation-tunnelling hyperfine structure in one of the flipping inodes of (020)3 near 3 THz. The small splittings seen in the Q-branch transitions are induced by the bound-free hydrogen atom tiiimelling by the water monomers. Bottom the low-frequency torsional mode structure of the water duner spectrum, includmg a detailed comparison of theoretical calculations of the dynamics with those observed experimentally [ ]. The symbols next to the arrows depict the parallel (A k= 0) versus perpendicular (A = 1) nature of the selection rules in the pseudorotation manifold.

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