ppt课件-molecules,motion,andirspectroscopy.pptVIP

PGCC Sinex CHM 103 Molecular VibrationsandIR Spectroscopy A little physics of electromagnetic radiation Energy (E) E = hn = hc/l where h is Planck’s constant, c is the speed of light, n is frequency or the number of vibrations per second and l is the wavelength Wavenumber (n’) n’ = 1/ l given in cm-1 Period (P) P = 1/n the time between a vibration What type of vibrations would occur in pentane? Some results Calculated values using computational software give lower wave numbers Increasing mass of substituted atoms shifts wave numbers to lower values (Excel spreadsheet) Stretching energies bending energies internal rotation energies (occur at higher wavelengths) Let’s examine the carbonyl group on three compounds Functional group analysis in organic compounds Unlike atomic spectroscopy where sharp energy transitions occur due to well quantized electron transitions, molecular spectroscopy tends to show bands. Molecular vibrations are influenced by the surrounding groups! Use of IR spectra Identification of functional groups on a molecule – this is a very important tool in organic chemistry Spectral matching can be done by computer software and library spectra Since absorbance follows Beer’s Law, can do quantitative analysis * Vibrations What is a vibration in a molecule? Any change in shape of the molecule- stretching of bonds, bending of bonds, or internal rotation around single bonds Can a vibration change the dipole moment of a molecule? (Shockwave animation) Asymmetrical stretching/bending and internal rotation change the dipole moment of a molecule. Asymmetrical stretching/bending are IR active. Symmetrical stretching/bending does not. Not IR active Infrared (IR) electromagnetic radiation causes vibrations in molecules (wavelengths of 2500-15,000 nm or 2.5 – 15 mm) What wavelength of electromagnetic radiation is involved in causing vibrations in molecules? For a vibration at 4111 cm-1 (the stretch in H2), how many vibrations occur in a seco