BiopolymerSpectroscopy.ppt

Biopolymer Spectroscopy Introduction to Spectroscopy I Vibrational Rotational Spectroscopy Figure 19.1 Table 19.1 Infrared region of the electromagnetic spectrum Infrared Regions Figure 19.4 Vibrational frequencies Molecular vibrations Harmonic/Anharmonic energy levels Harmonic/Anharmonic energy levels Energy difference between any pairs of adjacent levels Rotational Selection Rules Vibrational energy levels – rotational energy levels P, Q, and R Branches (NO gas) IR Spectrum Vibrational excitations Stretching and Bending Vibrations Infrared Active and Inactive Modes Infrared active stretches and bend Active, inactive, and weakly active -C≡C- stretches Vibrational Degrees of Freedom Vibrational modes for linear CO2 Infrared Spectrum of CO2 gas Vibrational modes for bent SO2 Infrared Spectrum of H2O Infrared Spectrum of H2O vapour * Gunzler and Gremlich, IR Spectroscopy, p. 1 The infrared region may be divided into three sections; near-, mid- and far-infrared: Region Wavelength range Wavenumber range (mm) (cm-1) Near 0.78 - 2.5 12800 - 4000 Middle 2.5 - 50 4000 - 200 Far 50 -1000 200 - 10 The most useful IR region lies between 4000 – 670 cm-1. Spontaneous emission is a completely random process, the emitted photons are incoherent In simple diatomic molecules, such as BrCl or CO, there is a certain distance between the atoms at which the attractive bonding forces and repulsive interactions between electrons balance each other. This distance is referred to as the equilibrium bond distance, req, and it can be changed by applying energy n is the frequency of vibration k is the force constant of the bond (the resistance of the bond to vibration and a measure of its strength) Reduced mass (m) = (m1 x m2)/(m1 + m2) The frequency of the vibrationa