Identifying Data 2016/17
Subject (*) Química Física 2 Code 610G01017
Study programme
Grao en Química
Descriptors Cycle Period Year Type Credits
Graduate 2nd four-month period
Second Obligatoria 6
Language
Spanish
Galician
English
Teaching method Face-to-face
Prerequisites
Department Química Física e Enxeñaría Química 1
Coordinador
Fernandez Perez, Maria Isabel
E-mail
isabel.fernandez.perez@udc.es
Lecturers
Armesto Barbeito, Xose Luis
Canle López, Moisés
Fernandez Perez, Maria Isabel
Santaballa Lopez, Juan Arturo
E-mail
xose.luis.armesto@udc.es
moises.canle@udc.es
isabel.fernandez.perez@udc.es
arturo.santaballa@udc.es
Web http://moodle.udc.es/
General description Esta asignatura é continuación natural da de Química Física I, e na mesma abórdase a aprendizaxe de coñecementos, destrezas e competencias asociados a interacción da radiación electromagnética ou feixes de partículas coa materia, tanto no que se refire á caracterización estructural como os aspectos fundamentais de técnicas de análise.

Study programme competencies
Code Study programme competences / results
A1 Ability to use chemistry terminology, nomenclature, conventions and units
A7 Knowledge and application of analytical methods
A8 Knowledge of principles of quantum mechanics and atomic and molecular structure
A9 Knowledge of structural characteristics of chemical and stereochemical compounds, and basic methods of structural analysis and research
A12 Ability to relate macroscopic properties of matter to its microscopic structure
A14 Ability to demonstrate knowledge and understanding of concepts, principles and theories in chemistry
A15 Ability to recognise and analyse new problems and develop solution strategies
A16 Ability to source, assess and apply technical bibliographical information and data relating to chemistry
A19 Ability to follow standard procedures and handle scientific equipment
A20 Ability to interpret data resulting from laboratory observation and measurement
A21 Understanding of qualitative and quantitative aspects of chemical problems
A23 Critical standards of excellence in experimental technique and analysis
A24 Ability to explain chemical processes and phenomena clearly and simply
A26 Ability to follow standard laboratory procedures in relation to analysis and synthesis of organic and inorganic systems
A27 Ability to teach chemistry and related subjects at different academic levels
B1 Learning to learn
B2 Effective problem solving
B3 Application of logical, critical, creative thinking
B5 Teamwork and collaboration
B6 Ethical, responsible, civic-minded professionalism
B7 Effective workplace communication
C1 Ability to express oneself accurately in the official languages of Galicia (oral and in written)
C2 Oral and written proficiency in a foreign language
C3 Ability to use basic information and communications technology (ICT) tools for professional purposes and learning throughout life
C6 Ability to assess critically the knowledge, technology and information available for problem solving
C7 Acceptance as a professional and as a citizen of importance of lifelong learning
C8 Understanding role of research, innovation and technology in socio-economic and cultural development

Learning aims
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

Contents
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.

Planning
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
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.

Personalized attention
Methodologies
Simulation
Problem solving
Seminar
Description
To look for a deeper understanding of the subject content, mainly spectroscopic applications, and to find the best personalized strategy in problem solving.

Tutoring schedule will be decided at lecturers and students convenience. The plan is to have four sessions, fifteen minutes each, during the term. They take place at the lecturers' offices.

Part-time students and those exempted from attending classes must attend personally to, at least, at one tutoring session per seminar in time schedule agreed between lecturer and student. This is complemented by the use of e-tutoring.

Assessment
Methodologies Competencies / Results Description Qualification
Simulation A1 A7 A8 A9 A12 A14 A15 A16 A20 A21 A24 B1 B2 B3 C3 C6 Critical analysis of the simulation exercises. 10
Multiple-choice questions A1 A8 A9 A12 A14 A15 A16 A20 A21 A24 A27 B1 B2 B3 B5 B7 C1 C2 C3 C7 C8 Answer to online multiple choice tests by the corresponding deadlines. 10
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 Content
Verbal skills
Non-verbal skills
Ability to answer questions on the presentation.
10
ICT practicals A1 A16 A27 B5 B7 C3 C6 Participation in on-line activities (files uploads and downloads, forums, WIKI, conceptual maps, ...).
5
Seminar A1 A8 A9 A12 A14 A15 A16 A20 A21 A24 A27 B1 B2 B3 B5 B7 C1 C2 C6 C7 C8 Exercises preparation
Attendance and active participation
10
Laboratory practice A1 A7 A9 A12 A14 A15 A16 A19 A20 A21 A23 A24 A26 A27 B1 B2 B3 B5 B7 C6 Operational aspects.
Lab notebook.
Critical analysis of the lab results
Written report
15
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 Final exam with two parts. One, the theoretical one (50%) which includes multiple choice questions, short answer and/or essay type, and, second, the numerical problems part (50%). 40
 
Assessment comments

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.


Sources of information
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/.


Recommendations
Subjects that it is recommended to have taken before
Matemáticas 1/610G01001
Matemáticas 2/610G01002
Física 1/610G01003
Física 2/610G01004
Bioloxía/610G01005
Xeoloxía/610G01006
Química 1/610G01007
Química 2/610G01008
Química 3/610G01009
Química 4/610G01010
Química Analítica 1/610G01011
Química Física 1/610G01016
Química Inorgánica 1/610G01021
Química Orgánica 1/610G01026
Química, Información e Sociedade/610G01031

Subjects that are recommended to be taken simultaneously
Laboratorio de Química/610G01032

Subjects that continue the syllabus
Química Física 3/610G01018
Experimentación en Química Física/610G01019
Química Física Avanzada/610G01020
Traballo de fin de Grao/610G01043

Other comments
<p class="MsoNormal" align="justify"><span lang="EN-US"><font size="3"><font face="Calibri">It is strongly recommended to study regularly the theoretical concepts explained in the lectures, and, at the same time, to answer the questions and to solve the numerical problems proposed along the course.<?xml:namespace prefix =" o" ns =" "urn:schemas-microsoft-com:office:office"" /></font></font></span></p> <p class="MsoNormal" align="justify"><span lang="EN-US"><font size="3"><font face="Calibri">Handouts should never replace the recommended reference material.</font></font></span></p> <p class="MsoNormal" align="justify"><span lang="EN-US"><font size="3"><font face="Calibri">It could be very HELPFUL the use of the tutorships to clarify doubts and to deepen the knowledge associated with the subject.</font></font></span></p> <p align="justify"> </p>


(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.