Knowledge, the ability of: critical thinking, synthesis, comparison, processing, concepts application and originality of the student will be assessed.

Attendance at all laboratory sessions is mandatory. Non attendance implies not pass (0) the subject.

The Spanish grading system will be used as follows:

Spanish Grade

Definition

ECTS Grade

Definition

10

Matrícula de Honor

A+

Top Qualification

9 -10

Sobresaliente

A

Highest 10%

7 – 8.9

Notable

B

Next 20%

5 – 6.9

Aprobado

C-D

Next 65%

0 – 4.9

Suspenso

FX-F

Not Pass

First opportunity: a least a grade of four and a half (4.5) over ten (10) in each of the two parts of the final exam and lab work is required to take into consideration the rest of the assessable activities.

Second opportunity: activities subject to assessment graded below four (4) over ten (10) must be delivered again -but those related to seminars and lab sessions-, as well as redo the part(s) of the final exam with a mark below four and a half (4.5).

In both oportunities, in spite of getting a mark of five or above, over ten, by using the weighted average, the final mark will be 4.5 if a least a grade of four and a half (4.5) over ten (10) is not obtained in each of the two parts of the final exam and lab work and/or a grade below four (4) over ten (10) in the rest of each assessable activities.

Notice that, in both opportunities, a final grade of five (5) is required to pass the subject. The final grade is calculated by considering all assessable activities and applying the weights indicated above.

Students who have participated in scheduled assessment activities, but the mixed objective/subjective test, whose sum is less than 20% of the final mark will be graded as non attendance.

An extra exam will be carried out in case of the number of student students, eligible for Matrícula de Honor (MH), is greater than the number of allowed MHs.

Students assessed in the second opportunity could also be eligible for Matrícula de Honor if the maximum allowed number of MHs has not been fully covered in the first opportunity.

Finally, as regard to next academic courses, everything starts again with the new course.

If this topic is used as formation complement in doctorate studies the mark will be PASS or FAIL.

Prevoius criteria also apply to part-time students and those exempted from attending classes in both opportunities, but those related to attending and participating in seminars. In this case students will have available seminar activities which must be delivered/uploaded as timely indicated in MOODLE or by e-mail.

Learning outcomes	Study programme competences / results
Apply the fundamentals of the point group theory.	A1 A8 A14 A27	B1 B2 B3	C1 C2 C3 C6
Adquisition of knowledge on other spectroscopies, as well as to know the new trends in the field of the structural elucidation as well as that of the chemical analysis.	A1 A7 A8 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A27	B1 B2 B3 B5 B6 B7	C1 C2 C3 C6 C7 C8
Understand the theoretical aspects of the different spectroscopy types, as well as the application to structural elucidation and the techniques of analysis.	A1 A7 A8 A9 A12 A14 A15 A20 A21 A27	B1 B2 B3	C1 C2 C6 C8
Understand the ways in which the electromagnetic radiation interacts with matter, and consequently the various types of spectroscopy, as well the analytical and structural information provided by them.	A1 A7 A8 A9 A12 A27	B1 B3	C1 C2 C3 C8
Understand the theoretical aspects of the absorption and emission processes of the electromagnetic radiation, with special attention to the role of the transition dipole moment.	A1 A7 A8 A9 A12 A27	B1 B2 B3	C1 C2 C3 C8
Understand the theoretical aspects that explain the intensity and the shape of the spectral lines, as well as be able to make predictions in concrete cases.	A1 A7 A8 A9 A12 A14 A20 A21 A27	B1 B2 B3	C1 C2 C6 C8
Understand the theoretical and practical aspects involved in the diffraction methods, with special attention to the elucidation of cystal structures by X-ray diffraction.	A1 A7 A8 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A27	B1 B2 B3 B5 B6 B7	C1 C2 C3 C6 C7 C8
Understand the theoretical and practical aspects of the laser action and its applications, with emphasis to Chemistry.	A1 A7 A8 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A27	B1 B2 B3 B5 B6 B7	C1 C2 C3 C6 C7 C8
Understand and apply theoretical and practical aspects of photochemistry, as well as their basic implications in environmental processes.	A1 A8 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A26 A27	B1 B2 B3 B5 B6 B7	C1 C2 C3 C6 C7 C8
Practical determination of spectra, their analysis and interpretation: structural and analytical (qualitative and quantitative).	A7 A12 A14 A16 A19 A20 A21 A23 A24 A26 A27	B1 B2 B3 B5 B6 B7	C1 C2 C3 C6 C7 C8

Topic	Sub-topic
Introduction to Spectroscopy	Electromagnetic radiation and matter. Resonant and non-resonant processes. Radiation-matter interaction: classical approach. Semi-classical approach: Einstein's coefficients and dipolar transition moment. Spontaneous emission. Selection rules. Spectra types. Intensities of spectral lines and population of the energy levels. Bouger-Lambert-Beer law. Width and shape of spectral lines. General aspects of instrumentation in spectroscopy: Fourier transform.
Symmetry & Chemistry	Symmetry elements and operations. Basic properties of point group symmetry. Point group representations: reducible and irreducible. Applications in Chemistry.
Rotation spectra	Molecular rotation:classical treatment. Classification of molecules. Diatomic and linear molecules spectra. Intensity of the transitions and energy levels population. Centrifugal distorsion. Symmetric tops spectra. Asymmetric tops spectra. Molecular structure determination. Experimental aspects of microwave spectroscopy: Stark effect and dipole moment.
Vibrational spectroscopy	Diatomic molecules. Quantum harmonic oscillator approximation: energy levels. Anharmonicity. Empiric potentials. Selection rules. Dissociation energies. Rotation-vibration spectra. Polyatomic molecules. Classical treatment: normal modes & coordinates. Quantum mechanical approach: energy levels. Symmetry considerations. Selection rules. Group frequencies. Experimental techniques. Raman spectroscopy. Molecular polarizability & polarizabilty tensor. Rayleigh e Raman dispersion: classical treatment. Quantum approach. Pure rotation spectra. Vibration spectra. Experimental techniques.
Electronic spectroscopy	Diatomic molecules. Electronic states. Selection rules. Relative Intensities of Vibronic Transitions: Frank-Condon principle. Vibronic structure: progressions. Dissociation energy. Polyatomic molecules. Estructure and electronic states. Selection rules. Spectra of simple molecules. Cromophores. Circular dicroism & rotatory optical dispersion. UV-VIS spectroscopy: experimental techniques & analytical applications. Photoelectron spectroscopy. Ionization processes. Experimental techniques. Ultraviolet photoelectron spectroscopy (UPS). X-ray photoelectron spectroscopy (XPS): chemical shift.
Fundamentals of Photochemistry	Fluorescence & Phosphorescence: Jablonski -Perrin diagram. The basic laws of photochemistry. Quantum yield. Quenching. Photochemical processes. Experimental techniques and applications.
Laser spectroscopy	The laser action. Laser types. Absorption and excitation spectroscopies: laser induced fluorescence. Raman spectroscopies. Multiphoton ionization spectroscopy: TOF detection. Femtosecond spectroscopy: applications in chemical reaction dynamics. Experimental techniques.
Magnetic resonance spectroscopies	Nuclear and electronic spin states: selection rules. Nuclear magnetic resonance spectroscopy (NMR). Chemical shift: contributions to the shielding factor. Fine structure splitting, coupling. Experimental aspects: Fourier transform. Relaxation processes. Electron spin resonance spectroscopy (ESR): fine and hyperfine structure. Experimental techniques and applications.
Diffraction methods	General aspects of diffraction. X-ray diffraction. Bragg & Laue conditions. The structure factor. Crystal structure determination. Fourier synthesis. The phase problem. Neutron diffraction. Electron diffraction in gases. Wierl function & radial distribution function. Experimental techniques and applications.
Other spectroscopies and new trends in spectroscopy	Mössbauer spectroscopy. Introduction to non-linear spectroscopies. Applications. New trends.

Methodologies / tests	Competencies / Results	Teaching hours (in-person & virtual)	Student’s personal work hours	Total hours
Guest lecture / keynote speech	A1 A7 A8 A9 A12 A14 A27 B1	19	28.5	47.5
Laboratory practice	A1 A7 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A26 A27 B1 B2 B3 B5 B7 C6	10	12.5	22.5
Seminar	A1 A8 A9 A12 A14 A15 A16 A20 A21 A24 A27 B1 B2 B3 B5 B7 C1 C2 C6 C7 C8	8	12	20
Problem solving	A1 A14 A15 A21 A27 B2 C6	9	13.5	22.5
Oral presentation	A1 A7 A8 A9 A12 A14 A15 A16 A20 A21 A24 A27 B2 B3 B5 B6 B7 C1 C2 C3 C6 C7 C8	2	5	7
ICT practicals	A1 A16 A27 B5 B7 C3 C6	0	4	4
Simulation	A1 A7 A8 A9 A12 A14 A15 A16 A20 A21 A24 B1 B2 B3 C3 C6	2	4	6
Workbook	A1 A16 A23 A24 C6 C7 C8	0	6.5	6.5
Multiple-choice questions	A1 A8 A9 A12 A14 A15 A16 A20 A21 A24 A27 B1 B2 B3 B5 B7 C1 C2 C3 C7 C8	0	3	3
Mixed objective/subjective test	A1 A8 A9 A12 A14 A15 A16 A20 A21 A24 B1 B2 B3 B5 B7 C1 C2 C3 C6 C7 C8	3	7	10

Personalized attention		1	0	1

(*)The information in the planning table is for guidance only and does not take into account the heterogeneity of the students.

Methodologies	Description
Guest lecture / keynote speech	Classical lecture format with audiovisual aids. Main theoretical features of each topic will be presented. Students participation is encouraged.
Laboratory practice	Lab work to apply on the theoretical concepts and to acquire the experimental skills associated with them.
Seminar	This activity will take place in small groups. The aim is to gain insight and to deepen in the lecture topics based on the active participation of students.
Problem solving	Practical application, numerical and conceptual, of the theoretical knowledge.
Oral presentation	One of the experiments carried out in the lab, selected by the lecturer, must be orally presented and discussed.
ICT practicals	The aim is to promote students effective learning through practical exercises by using information and communication technologies (ICT).
Simulation	Spectra simulation and the corresponding critical analysis to deepen the key concepts. Activity in small groups at the computers room.
Workbook	Readings to gain insight in the theoretical concepts.
Multiple-choice questions	Throughout the course there will be, using the Moodle learning platform, a series of tests to assess learning of concepts, skills, competencies and skills associated with the subject.
Mixed objective/subjective test	Combination of different types of questions: multiple choice, short answer, essay, etc. and numerical problems. Knowledge, reasoning, and critical thinking will be assessed.

Basic
	Atkins, Peter W. (2014). Atkins' Physical Chemistry. Oxford : Oxford University Press Luis Carballeira Ocaña & Ignacio Pérez Juste (2008). Problemas de Espectroscopía Molecular . Oleiros : Netbiblo Atkins, Peter W. (2008). Química física. Buenos Aires : Médica Panamericana Además das fontes indicadas neste apartado, e no seguinte, poderán suxerirse na plataforma de teleformación MOODLE,outras que ó longo do curso se consideren interesantes.
Complementary
	http://www.spectroscopynow.com/. http://jersey.uoregon.edu/vlab/PlankRadiationFormula/index.html. http://photobiology.info/. http://www.pol-us.net/ASP_Home/index.html. P. R. Griffiths (2007). Fourier transform infrared spectrometry. John Wiley & Sons http://nobelprize.org/nobel_prizes/. http://www.johnkyrk.com/photosynthesis.html. http://micro.magnet.fsu.edu/optics/timeline/people/jablonski.html. http://ozonewatch.gsfc.nasa.gov/. http://www.nist.gov/. S. F. A. Kettle (2007). Symmetry and structure : readable group theory for chemists. John Wiley D. C. Harris (1989). Symmetry and spectroscopy an introduction to vibrational and electronic spectroscopy. Dover Andrew Gilbert & Jim Baggott (1991). Essentials of molecular photochemistry. Oxford ; Boston : Blackwell Scientific Publications G. Socrates (2005). Infrared and raman characteristic group frequencies tables and charts. John Wiley & Sons A. M. Ellis (2005). Electronic and photoelectron spectroscopy fundamentals and case studies. Cambridge University Press Fotoquímica (inglés) (). http://web.mac.com/titoscaiano/Research_in_Scaianos_labs/teaching_movies.html. J. R. Albani (2007). Principles and applications of fluorescence spectroscopy. Oxford : Blackwell C. Gell (2006). Handbook of single molecule fluorescence spectroscopy. Oxford University Press Helmet H. Telle, Angel Gonzalez Ureña, Robert J. Donovan (2007). Laser chemistry : spectroscopy, dynamics and applications. West Sussex : John Wiley & Sons H. H. Telle (2007). Laser chemistry : spectroscopy, dynamics and applications. John Wiley & Sons T. N. Mitchell (2004). NMR--from spectra to structures: an experimental approach. Springer B. Metin (2005 ). Basic ¹H-and ¹³C-NMR spectroscopy . Elsevier Françoise Hippert et al. (2006). Neutron and x-ray spectroscopy. Dordrecht : Springer R. Jenkins (1996). Introduction to X-ray powder diffractometry. John Wiley & Sons (2005). International tables for crystallography. Dordrecht : Springer (2005). International tables for crystallography brief teaching edition of volume A : space-group symmetry. Dordrecht : Springer Wikipedia - Español (). http://es.wikipedia.org/wiki/Wikipedia. Wikipedia - inglés (). http://en.wikipedia.org/wiki/Wikipedia. I. N. Levine (2004). Fisicoquímica 5ª edición. McGraw-Hill Alberto Requena Rodríguez & José Zúñiga Román (2004). Espectroscopia . Pearson Educación, S.A. Víctor Luaña, V. M. García Fernández, E. Francisco & J. M. Recio (2002). Espectroscopía molecular. Universidad de Oviedo, Servicio de Publicaciones J. R. Lakowicz (2006). Principles of fluorescence spectroscopy. Springer J. Michael Hollas (2004). Modern Spectroscopy. J. Wiley & Sons Alberto Requena & José Zúñiga (2007). Química Física : problemas de espectroscopia : fundamentos, átomos y moléculas diatómicas. Madrid : Pearson Educación J. Keeler (2010). Understanding NMR spectroscopy. Carol E. Wayne & Richard P. Wayne (1996). Photochemistry. Oxford Chemistry Primers, 39 http://www.ch.ic.ac.uk/local/symmetry/. Ooi, Li-ling (2010). Principles of x-ray crystallography. Oxford University Press https://moodle.udc.es/.