Material taught, literature references, homework

4/10/2024: What is and what is not discussed as Spectroscopy. Quantities involved. Appearance of a spectum. Basic equations and spectral regions. Blackbody radiation, Einstein coefficients.

Hollas: xxi-xxv, 27-39, 41-43
Bernath (2nd Ed.): 3-11
McHale: 48-51
Softley: 1-6
Brown: 1-5, 15-17

11/10/2024: Einstein coefficients. Line shapes, broadening effects: Natural, Doppler, pressure, etc.

Hollas: 27-39, 1-8
Bernath: 7-11, 21-34
McHale: 48-51, 153-170
Softley (en): 17-18
Brown (en): 14-17

Homework

Problem 1: The double D line of sodium has an average wavelength of 589.29 nm. Write the frequency, the wavenumber, the energy (in J and eV) of its photon. In which spectral region does it belong?

18/10/2024: Atomic spectroscopy: Hydrogen-like atoms, wave functions, spin-orbit coupling, fine structure, hyperfine structure, quantum defect theory for spectra of alkali metals

Hollas: 34-39, 1-12
Bernath: 109-124, 137-141
Softley: 8-25, 29-35
Sobelman: 3-15, 34-37, 156-162

Homework

Problem 2: At what wavenumber dows a black body with a temperature of 37 °C emit its most intense radiation? What part of the electromagnetic spectrum does it fall under?

Problem 3: How many electrons does ¹⁰⁸Ag⁴⁶⁺ possess?

Problem 4: At what wavenumber and wavelength is the 4th Balmer line observed?

25/10/2024: Atomic spectroscopy: wave functions, Einstein coefficients and transition dipole moments. Demonstration of UV-vis. spectrophotometer operation and components. Range of visible spectrum. Flame spectroscopy with a Bunsen burner.

Spectra of H, O, He, Ne, Ar, Na, Li, sun

4/11/2024: Rotational spectroscopy: enery levels, angular momentum, moments of inertia of molecules, calculating moments of inertia, types of tops. Diatomic and linear molecules: hamiltonian operator, quantum numbers, energy eigenvalues, wave functions, degeneracy, selection rules, population distributions, peak positions, form of spectra, isotope effect.

Brown: 21-26
Hollas: 103-111
Bernath: 169-177
McHale: 209-212
Carrington: 146-152
Levine: 165-168

Homework

Problem 5: Using data from CRC Handbook of Chemistry and Physics (9- 15-41) caclulate the moments of inertia for the moelcules HBr, C₂H₂, HCCD and their rotational spectroscopic constants (in cm^-1). Use the masses of the most abundant isotopes when not specified.

8/11/2024: Rotational spectroscopy of non-linear molecules: Hamiltonian operator, quantum numbers, energy and angular momentum eigenvalues, wavefunctions, degeneracy, selection rules, centrifugal distortion, form of spectra.

Brown: 26-29
Bernath: 174-176, 185-200
Zare: 85-86, 89
Hollas: 103-105, 113-114
Banwell: 31-50
Levine: 195-213

Geometry data and rotational constants of molecules

Homework

Problem 6: Pure rotational transitions of ¹²C³²S in the ground vibrational state are observed in the microwaves at the frequencies 48990.978 MHz (J=0→1), 97980.950 MHz (J=1→2), 146969.033 MHz (J=2→3), 195954.226 MHz (J=3→4). Determine the the spectroscopic constants based on the transitions ovserved. Caclulate the bond length at the ground vibraional state.