ECTS credits ECTS credits: 6
ECTS Hours Rules/Memories Student's work ECTS: 99 Hours of tutorials: 3 Expository Class: 24 Interactive Classroom: 24 Total: 150
Use languages Spanish, Galician, English
Type: Ordinary Degree Subject RD 1393/2007 - 822/2021
Departments: Physical Chemistry
Areas: Physical Chemistry
Center Faculty of Chemistry
Call: Second Semester
Teaching: With teaching
Enrolment: Enrollable
After having successfully completed this course, students must be able to:
• Understand and use the concepts related to spectroscopy, the quantum mechanical theory that supports it and the main spectroscopic techniques used in Chemistry.
• Understand the qualitative and quantitative aspects of spectroscopic problems and develop the ability to solve them through numerical and computational techniques.
• Manage spectroscopic instrumentation and interpret data from observations and measurements in the spectroscopy laboratory using quantum mechanics.
Descriptors of the course
The interaction between electromagnetic radiation and matter. Absorption, emission and Raman scattering spectroscopies. Spin magnetic resonance spectroscopy. Experimental laboratory with special emphasis on the application of spectroscopic techniques to the study of systems of chemical-physical interest.
Contents
1. Introduction to spectroscopy
Introduction. Absorption and emission of radiation. Experimental techniques. Molecular energy levels and transitions. Transition moment, selection rules and spectra. Intensity of the spectral lines. Population of energy levels: the Boltzmann distribution. The Beer-Lambert law.
2. Molecular rotation. Rotational absorption and emission spectra
Moments of inertia and rotational energy levels. Rotational absorption and emission transitions. Microwave spectroscopy.
3. Molecular vibration. Vibrational absorption and emission spectra.
Vibration of diatomic molecules: harmonic and anharmonic oscillator models. Vibrational absorption and emission transitions. Vibrational absorption spectroscopy. Interaction of rotation and molecular vibration. Rotation-vibration absorption spectra of diatomic molecules. Vibration of polyatomic molecules. Vibrational normal modes. Selection rules. Infrared spectra of polyatomic molecules.
4. Vibrational and rotational Raman spectra
Scattering of radiation (Rayleigh and Raman). Raman spectroscopy. Vibrational Raman spectra of diatomic molecules. Vibrational Raman spectra of polyatomic molecules. Rotational Raman spectra of diatomic molecules. Applications of Raman spectroscopy.
5. Electronic transitions
Atomic electronic spectra. Electronic spectra of diatomic molecules. Vibrational structure of electronic spectra. Franck-Condon factors. Electronic spectra of polyatomic molecules. Fluorescence and phosphorescence. Molecules in excited electronic states and photochemistry. Lasers.
6. Magnetic resonance
Energy levels of nuclear and electronic spin in a magnetic field. Magnetic resonance spectroscopy. Nuclear magnetic resonance. The chemical shift. Fine structure of the spectra. Application in medicine: magnetic resonance imaging.
LABORATORY EXPERIMENTS
Experiment 1. Electronic absorption spectra of cianine dyes. Application of the quantum mechanical model of a particle in a box.
Experiment 2. IR and Raman vibrational spectroscopy. Normal modes of vibration.
Experiment 3. Fluorescence spectroscopy.
RECOMMENDED TEXTBOOKS
• P. Atkins, J. de Paula and J. Keeler, Physical Chemistry, Oxford University Press, Oxford, 11th ed., 2018. E-book available.
• C. N. Banwell and E. M. McCash, Fundamentals of Molecular Spectroscopy, McGraw-Hill, London, 4th ed., 1994.
• A. Burrows, J. Holman, A. Parsons, G. Pilling and G. Price, Chemistry3: Introducing Inorganic, Organic, and Physical Chemistry, Oxford University Press, Oxford, 3rd ed., 2017. E-book available. This book has a section of resources available openly on the publisher's website, with self-evaluation questionnaires and summaries of each chapter, including the spectroscopy one: https://oup-arc.com/access/burrows3e-student- resources # tag_chapter-10
• Chemistry LibreTexts. University of California Davis. Spectroscopy,
http://chem.libretexts.org/Core/Physical_and_Theoretical_Chemistry/Spec…
COMPLEMENTARY PHYSICAL CHEMISTRY TEXTBOOKS
• H. Kuhn, H.-D. Försterling and D. H. Waldeck, Principles of Physical Chemistry, Wiley, Hoboken, New Jersey, 2nd ed., 2009.
• T. Engel and P. Reid, Physical Chemistry, Pearson, Boston, 3rd ed., 2013. E-book available.
• G. M. Barrow, Physical Chemistry, McGraw-Hill, New York, 6th ed., 1996.
• K. W. Kolasinski, Physical Chemistry: How chemistry works, John Wiley & Sons, Chichester, 2017. E-book available.
• M. Díaz Peña and A. Roig Muntaner, Química Física, Alhambra, Madrid, 2nd ed., 1985, Vol. 1.
• G. W. Castellan, Fisicoquímica, Addison Wesley Longman, México, 2nd ed., 1998.
• K. J. Laidler, J. H. Meiser and B. C. Sanctuary, Physical Chemistry, Houghton Mifflin Company, Boston, 4th ed., 2003.
PROBLEM SOLVING BOOKS
• L. Carballeira Ocaña and I. Pérez Juste, Problemas de Espectroscopía Molecular, Netbiblo, Oleiros (Coruña), 2008.
• C. Trapp, M. Cady and C. Giunta, Student Solutions Manual to accompany Atkins' Physical Chemistry, Oxford University Press, Oxford, 10th ed., 2014.
• J. Bertrán Rusca and J. Núñez Delgado, Problemas de Química Física, Delta, Madrid, 2013.
• I. N. Levine, Problemas de Fisicoquímica, Schaum (McGraw-Hill), Madrid, 2005.
• I. N. Levine, Student Solutions Manual to accompany Physical Chemistry, McGraw-Hill, Boston, 6th ed., 2009.
• J. M. Pérez Martínez, A. L. Esteban Elum and M. P. Galache Payá, Problemas resueltos de Química Cuántica y Espectroscopía Molecular, Univ. de Alicante, Alicante, 2001.
COMPLEMENTARY SPECTROSCOPY TEXTBOOKS
• J. M. Hollas, Basic Atomic and Molecular Spectroscopy, Wiley Interscience & Royal Society of Chemistry, 2002.
• R. Chang, Principios básicos de espectroscopía, Editorial AC, Madrid, 1983.
“Oxford Chemistry Primers”, from Oxford University Press, has several spectroscopy books at introductory level:
• J. M. Brown, Molecular Spectroscopy, 1998.
• S. Duckett and B. Gilbert, Foundations of Spectroscopy, 2000.
GENERAL COMPETENCES
Upon completion of this course students are expected to be able to:
CG2. Gather and interpret data, information and relevant results, establish conclusions and prepare reports on scientific, technological or other issues that require the knowledge of Chemistry.
CG3. Apply theoretical and practical knowledge acquired during the course as well as to face problems and search for their solutions both in academic and professional contexts.
CG4 Have the ability to communicate, both in writing and speaking, knowledge, procedures, results and ideas in chemistry to specialized and non-specialized public.
CG5. Study and learn autonomously, with organization of time and resources, new knowledge and techniques in any scientific or technological discipline.
TRANSVERSAL COMPETENCES
CT1. Acquire capacity of analysis and synthesis.
CT4. Be able to solve problems.
SPECIFIC COMPETENCES
CE13. Be able to demonstrate knowledge and understanding of the essential facts, concepts, principles and theories related to the areas of Chemistry.
CE14. Be able to solve qualitative and quantitative problems according to models developed previously.
CE19. Acquire skill in handling standard chemical instrumentation such as that used for structural investigations and separations.
CE20. Be able to interpret data from observations and measurements in the laboratory in terms of its significance and the theories that support it.
Different types of classes will be taught in this course:
- Large-group lectures
Lectures given by the instructor, which may include solving short problems and/or general examples, as well as short discussions concerning questions asked by students.
- Small-group interactive classes
Practical classes where applications of the theory, problems, exercises, etc., are proposed and solved. Students will take active part in these classes.
- Tutorials in very small groups
They will be used to foster classroom discussions and to facilitate the students to acquire a general vision of the subject and develop their oral expression.
- Laboratory practical classes in very small groups
The activities to be carried out in these classes are designed for students to acquire the skills of a Spectroscopy laboratory, including performing spectra, interpreting them according to physicochemical models, and reporting the results and the conclusions in a scientifically rigorous manner. Attendance at these classes is mandatory.
In accordance with the document “Bases for the development of a safe face-to-face teaching in the academic year 2020-2021”, approved by the Consello de Goberno of USC on June 19, 2020, below are the details of the methodology used in each of the three possible scenarios, depending on the status of the COVID-19 pandemic.
SCENARIO 1. ADAPTED NORMALITY (WITHOUT RESTRICTIONS TO FACE-TO-FACE CLASSES). All classes, including laboratory, will be face-to-face.
SCENARIO 2. DISTANCING (PARTIAL RESTRICTIONS TO FACE-TO-FACE CLASSES). The face-to-face teaching may be entirely replaced by online teaching (when social distancing is not possible), or by a combination of face-to-face and online teaching (50% each), when social distancing is possible. In interactive teaching, seminars and laboratories, it will be possible to combine face-to-face with a maximum of 50% online teaching, as required by social distancing.
SCENARIO 3. CLOSURE OF THE FACILITIES. All teaching activities will be taught in online format.
In the case of blended teaching format or fully online teaching, i.e. the scenarios 2 and 3, the Virtual Campus will be the platform of choice for the online teaching. MS Teams will be the software used to carry out synchronous telematic sessions.
All the teaching material will be available on the virtual learning platform: information on the subject, class presentations, bulletins of problems and solved problems, laboratory manual, exams from previous years, course forum, self-assessment test, etc.
If the scenario allows it, the instructors will attend to individual student queries in the weekly tutoring schedule that is published at the beginning of the year on the Chemistry Faculty web page and on the virtual learning platform. Students will also be attended through MS Teams for tutorials previously arranged by email, in any of the three scenarios.
The assessment system of this subject will be the same for the first and the second opportunities.
The qualification will be carried out through continuous assessment and a final exam. The final grade will not be lower than that of the final exam nor that obtained by averaging it with the continuous assessment, giving a weight of 40% to the latter. To pass the course, it is required to obtain a pass mark in the laboratory work.
The final exam will include theoretical and conceptual questions (4 points), problems (4 points) and questions related to laboratory practices (2 points).
In the continuous assessment, the student's personal work throughout the course will be assessed through the following aspects:
• Continuous assessment tests (60%).
• Laboratory work (40%). The quality of the work done and the qualification of a compulsory exam on the practices will be assessed with the same weight. The work of the students will be assessed taking into account the face-to-face work in the laboratory, if it was carried out, and the documents delivered. In the assessment of the face-to-face work in the laboratory, the previous preparation of the practice, the interest in doing a rigorous work and the quality of knowledge acquired in the laboratory will be taken into account. In the assessment of the documents delivered, the clarity and rigor of the presentation will be taken into account, as well as the degree of accordance with the regulations of the international system of units.
• Up to an additional 10% in the continuous assessment grade may be awarded to those students who stand out for their participation in class, in the course forum of the virtual learning platform or in their laboratory work.
For online tests or exams, the virtual learning platform or the Microsoft Forms platform will be used.
In scenario 1, the tests and exams will be done face-to-face in the classroom. In scenario 2, the tests and exams will preferably be face-to-face in the classroom, unless it is impossible to sufficiently ensure a safety social distancing, in which case they would be carried out online. In scenario 3, all assessment tests will be carried out online.
To obtain the pass qualification in the laboratory work in scenarios 1 and 2, it is required to:
• Attend all the programmed practices. Students who cannot attend the laboratory practices on schedule, for justified reasons, will have to perform them in a different schedule, in agreement with the instructors and the programmed timetable of the course.
• Carry out the practices correctly and upload on the virtual learning platform the computer files with the spectroscopic analyses and the summary of the work within the required period.
• Take the practical exam and demonstrate the ability to present and interpret spectroscopic data in tables and graphs, in accordance with the regulations of the International System of Units.
To obtain the pass qualification in the laboratory practices in scenario 3, it is required to:
• Present the data processing file and the report of the practice carried out as original documents correctly prepared and uploaded to the virtual learning platform within the established schedule.
• Take the practical exam and demonstrate the ability to present and interpret spectroscopic data in tables and graphs, in accordance with the regulations of the International System of Units.
The laboratory exercises are not mandatory for students who obtained a pass qualification in one of the two immediately preceding courses (i.e., the laboratory mark may be kept for two consecutive years). They will also be able to improve the mark by taking the practical exam.
In cases of fraudulent performance of exercises or tests, the provisions of the "Normativa de evaluación del rendimiento académico de los estudiantes y de revisión de calificaciones" of the USC will apply.
In the event that any student cannot carry out online activities in conditions similar to the rest of the students, alternative activities will be carried out for their evaluation, which will ensure equal opportunities.
Throughout the course the following competences are assessed:
Interactive lectures: CG2, CG3, CG4, CG5, CT1, CT4, CE13, CE14
Laboratory classes: CG2, CG3, CG4, CT1, CT4, CE19, CE20
Tutorials: CG4, CG5, CT1, CE13
Final exam: CG2, CG3, CG4, CG5, CT1, CT4, CE13, CE14, CE20
Classes in a large group: 28 hours
Interactive classes in a small group: 12 hours
Laboratory classes: 16 hours
Tutorials in a small group: 2 hours
Total hours of face-to-face work in classroom or laboratory: 58 hours
Autonomous student work: 92 hours
Total work hours: 150
RECOMMENDATIONS FOR THE STUDY
• It is important to keep up to date in assignments.
• Once the reading of a topic in the reference manual is finished, it is useful to summarize the important points, identifying the basic equations and making sure you know both their meaning and the conditions under which they can be applied.
• Problem solving is fundamental for learning this subject. It may be helpful to follow these steps: (1) make a list of all the relevant information provided by the problem statement, (2) make a list of the quantities to be calculated and, if possible, a scheme of the relevant data and information sought and (3) identify the equations to be used in solving the problem and apply them correctly. These and other recommendations for the study of Physical Chemistry and for the resolution of problems are included in sections 1.9 (chapter 1) and 2.12 (chapter 2) of the book Physical Chemistry of I. N. Levine, cited in the literature.
RECOMMENDATIONS FOR THE ASSESSMENT
It is recommended that those students who find significant difficulties to solve the proposed activities consult with the instructors in the hours of individual tutoring, to analyse the problems and try to solve them.
RECOMMENDED PREREQUISITES
It is very important to have passed the course on Physical Chemistry I, since the concepts of Physical Chemistry II are directly related to that subject. It is also advisable to have passed the Mathematics I and II, Physics I and II, Applied Statistics and Computer Science for Chemists and General Chemistry I.
CONTINGENCY PLAN
In the event that there are partial restrictions on physical attendance due to COVID-19 (scenario 2), teaching in large groups will combine face-to-face and online teaching at 50%, whenever it is possible to ensure in this way physical distancing. Otherwise, teaching will be carried out only online and synchronously through MS Teams.
Interactive teaching in scenario 2 will preferably be taught face-to-face in the classroom, unless the number of students in each group prevents ensuring physical distance. In this case, physical attendance and telematics will be combined at 50%.
In scenario 2, the laboratory practices will be carried out entirely face-to-face whenever the health regulations allow it, depending on the size of the groups. If not, 50% physical attendance will be combined with the completion of another 50% virtual asynchronous practical work.
In scenario 2, the assessment tests will preferably be face-to-face in the classroom, unless it is impossible to ensure sufficient physical distance between the students, in which case the tests will be conducted online.
In the case of closure of the centers due to the state of the pandemic (scenario 3), all teaching and assessment tests will take place online.
Manuel Mosquera Gonzalez
- Department
- Physical Chemistry
- Area
- Physical Chemistry
- Phone
- 881815735
- manuel.mosquera [at] usc.es
- Category
- Professor: University Professor
María De La Flor Rodríguez Prieto
Coordinador/a- Department
- Physical Chemistry
- Area
- Physical Chemistry
- Phone
- 881814208
- flor.rodriguez.prieto [at] usc.es
- Category
- Professor: University Professor
Saulo Angel Vazquez Rodriguez
- Department
- Physical Chemistry
- Area
- Physical Chemistry
- Phone
- 881814216
- saulo.vazquez [at] usc.es
- Category
- Professor: University Professor
| Tuesday | |||
|---|---|---|---|
| 09:00-10:00 | Grupo /CLIS_06 | Spanish | Analytical Chemistry Classroom (2nd floor) |
| 10:00-11:00 | Grupo /CLIS_01 | Spanish | Biology Classroom (3rd floor) |
| 12:00-13:00 | Grupo /CLIS_05 | English | Classroom 2.11 |
| 12:00-13:00 | Grupo /CLIS_04 | Spanish | "Antonio Casares" Main Hall (ground floor) |
| 13:00-14:00 | Grupo /CLIS_03 | Spanish | Organic Chemistry Classroom (1st floor) |
| Wednesday | |||
| 10:00-11:00 | Grupo /CLE_03 | English | Classroom 2.11 |
| 10:00-11:00 | Grupo /CLE_02 | Spanish | Technical Chemistry Classroom (ground floor) |
| 11:00-12:00 | Grupo /CLE_01 | Spanish | Physical Chemistry Classroom (ground floor) |
| Thursday | |||
| 10:00-11:00 | Grupo /CLE_03 | English | Classroom 2.11 |
| 10:00-11:00 | Grupo /CLE_02 | Spanish | Technical Chemistry Classroom (ground floor) |
| 11:00-12:00 | Grupo /CLE_01 | Spanish | Physical Chemistry Classroom (ground floor) |
| 13:00-14:00 | Grupo /CLE_03 | English | Classroom 2.11 |
| 13:00-14:00 | Grupo /CLE_01 | Spanish | Physical Chemistry Classroom (ground floor) |
| 13:00-14:00 | Grupo /CLE_02 | Spanish | Technical Chemistry Classroom (ground floor) |
| 05.21.2021 10:00-14:00 | Grupo /CLE_01 | Biology Classroom (3rd floor) |
| 05.21.2021 10:00-14:00 | Grupo /CLE_01 | Physical Chemistry Classroom (ground floor) |
| 05.21.2021 10:00-14:00 | Grupo /CLE_01 | Inorganic Chemistry Classroom (1st floor) |
| 05.21.2021 10:00-14:00 | Grupo /CLE_01 | General Chemistry Classroom (2nd floor) |
| 06.23.2021 10:00-14:00 | Grupo /CLE_01 | Biology Classroom (3rd floor) |
| 06.23.2021 10:00-14:00 | Grupo /CLE_01 | Physical Chemistry Classroom (ground floor) |
| 06.23.2021 10:00-14:00 | Grupo /CLE_01 | Inorganic Chemistry Classroom (1st floor) |
| 06.23.2021 10:00-14:00 | Grupo /CLE_01 | General Chemistry Classroom (2nd floor) |