FACULTAD DE CIENCIAS GRADO DE FÍSICA. 2016/17 Year. Subject: FUNDAMENTOS DE ESPECTROSCOPÍA DETAILS OF THE SUBJECT

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1 FACULTAD DE CIENCIAS GRADO DE FÍSICA Subject: DETAILS OF THE SUBJECT Title: Code: Degree/Master: GRADO DE FÍSICA Year: 4 Name of the module to which it belongs: OPTATIVO Field: OPTATIVA 4 Character: OPTATIVA Duration: SECOND TERM ECTS Credits: 6 Classroom hours: 60 Face-to-face classroom percentage: 40% Non-contact hours: 90 Online platform: Moodle TEACHER INFORMATION Name: RODRIGUEZ AMARO, RAFAEL (Coordinador) Faculty: Facultad de Ciencias Department: QUÍMICA FÍSICA Y TERMODINÁMICA APLICADA Area: QUÍMICA FÍSICA Office location: Edificio C3 segunda planta qf1roamr@uco.es Phone: Name: MADUEÑO JIMÉNEZ, RAFAEL Faculty: Facultad de Ciencias Department: QUÍMICA FÍSICA Y TERMODINÁMICA APLICADA Area: QUÍMICA FÍSICA Office location: Edificio C3, segunda planta (C32S130) qf2majir@uco.es Phone: Name: SANCHEZ OBRERO, GUADALUPE Faculty: Facultad de Ciencias Department: QUÍMICA FÍSICA Y TERMODINÁMICA APLICADA Area: QUÍMICA FÍSICA Office location: Edificio C3 segunda planta q72saobg@uco.es Phone: Prerequisites established in the study plan SPECIFICS OF THE SUBJECT REQUIREMENTS AND RECOMMENDATIONS It will be compulsory to have, at least, a B1 Level in English to take this course in the bilingual group Recommendations None specified. 1/6

2 SKILLS CB1 CB3 CB5 CB6 CB7 CB8 CE1 CE4 the skills to analyse and summise written and oral communication Problem solving Team work Critical thinking Independent Study knowledge and understanding of the most important phenomenons and physics theories The ability to measure, interpret and design experiences both in and out of the laboratory OBJECTIVES Fundamental knowlegde of molecular spectroscopy concepts and the application of experimental methods to the study of molecular structure by obtaining molecular parameters of interest in the field of Physical Chemistry. CONTENT 1. Theoretical content 1.- SPECTROSCOPY AND QUANTUM MECHANICS. Introduction. The atomic model and quantum mechanics solutions. The Born-Oppenheimer approximation and Spectroscopy. Molecular Model. Rigid rotor and harmonic oscillator. 2.-THE INTERACTION OF THE ELECTROMAGNETIC RADIATION WITH MATTER Introduction. Absorption and emision of radiation. Spectral line broadening. Experimental methods. 3.- ROTATIONAL SPECTROSCOPY. Introduction. Classification of molecules by symmetry. Rotational spectra. Diatomic and linear polyatomic molecules. Centrifugal distorsion. Symmetric rotor. Stark effect. Asymmetric rotor. Spherical rotor. Rotational Raman Spectrocopy. Nuclear spin statistical weights. 4.- VIBRATIONAL SPECTROSCOPY. Introduction. Diatomic molecules. Infrared (IR) and Raman spectra. Anharmonicity. Vibration rotation spectroscopy. Polyatomic molecules. Applications of vibrational spectroscopy. 5.-MOLECULAR SYMMETRY AND ELECTRONIC SPECTROSCOPY. Molecular symmetry. Elements of symmetry: Generation. Point groups of symmetry. Character Tables. Degenerate and non-degenerate point groups. Diatomic molecules. Molecular orbitals. Electronic configuration and classification of electronic states. Selection rules. Ground and excited electronic states. Potential energy curve. Vibrational structure in electronic spectra. The Franck-Condon principle. Fluorescence and phosphorescence. 2/6

3 6.- OTHER SPECTROSCOPIES. Resonance Spectroscopy. Mössbauer Spectroscopy. Auger Spectroscopy. Photoelectron Spectroscopy. 2. Practical contents The lab practices proposed are the following ones: Practice 1. Beer-Lambert Law. Practice 2. IR Spectra of diatomic molecules in air. Determination of molecular parameters Practice 3. Energy of hydrogen bonding formation determined by UV-visible spectroscopy. METHODOLOGY Methodological adaptations for part-time students Goberned by the same rules as full-time students. Face-to-face activities Activity Large group Medium group Total Assessment activities 3-3 Debates Group presentation 6-6 Group work (cooperative ) 7-7 Laboratory Lectures Seminar Total hours: Not on-site activities Actividad Total Bibliographic consultations 30 Exercises 10 Finding information 40 Self-study 10 Total hours: 90 WORK MATERIALS FOR STUDENTS Búsquedas en internet Practical cases and examples Dossier Clarifications: Material and information about the subject contents, bibliography and development of seminar activities will be 3/6

4 suppl ed to the students in the moodle on-line platform during the semester. EVALUATION Tools Skills Assignments and projects Group work Internship reports Oral presentations Problem solving CB1 x x CB3 x x x CB5 x CB6 x CB7 x x x CB8 x x x CE1 x x x x CE4 Total (100%) 35% 10% 10% 35% 10% Minimum grade.(*) (*) Minimum grade necessary to pass the subject What is the weight of the attendace in the final grade?: Accordingly to the active participation and motivation of the student in the programmed activities General clarifications on instruments for evaluation: The instruments included allow for proper evaluation of the requirements and skills (Competencies) to be developed in this subject. General clarifications on evaluation and methodological adaptation for part-time students: They are goberned by the same rules as full-time students and their continuous assessment is divided into: x Internship reports (10%), Problem solving (10%) and group work (10%) represents 30% of the overall mark. The remaining 70% of the final mark corresponds to Assignments, Projects (35%) and Oral presentations (35 %). Qualifying criteria for obtaining honors: Eligible students for distinctions/honors will be from those scoring an overall mark higher than 9.3/10 Hay examenes/pruebas parciales?: No BIBLIOGRAPHY 1. Basic Bibliography: - I.N. Levine, Fisicoquímica 4ª Ed. (vol. 2), 1996 Physical Chemistry 6th ed., P.W. Atkins, Química Física 6ª Ed., Physical Chemistry 8th ed. - J. Bertran Rusca, J. Nuñez Delgado, Química Física (vols. 1-2), G.W. Castellan, Fisicoquímica 3ª Ed., /6

5 - K.J. Laidler, J.H. Meiser, Fisicoquímica, Ed. CECSA, Physical Chemistry 4ed., D.A. McQuarrie, J.D. Simon, Physical Chemistry: A Molecular Approach, M. Diaz Peña y A. Roig Muntaner, Química Física, 2ª Ed. (2 Vols.), Further reading: - C.N. Bandwell, Fundamentos de espectroscopia molecular, 2ª Ed., Fundamentals of Molecular Spectroscopy, 4th ed., J.Michael Hollas, Modern Spectroscopy 4th ed., A. Requena, J. Zuñíga, Espectroscopia, W. Schmidt, Optical Spectroscopy in Chemistry (Wiley-VCH), I.N. Levine, Química Cuántica 5ed., 2001-Quantum Chemistry 6th ed., W. Gordy, R.L. Cook, Microwave Molecular Spectra, N.B. Coulthup, L.M. Daly, S.E. Wiberley, Introduction to Infrarred and Raman Spectroscopy, 3th ed., W.G. Richards, P.R. Scott, Structure and Spectra of Molecules, J.R. Lakowicz, Principles of Fluorescence Spectroscopy, 3th ed., D. Rendel, Fluorescence and Phosphorescence Spectroscopy, H. Günter, NMR Spectroscopy: Basic Principles, Concepts and Applications in Chem., 2nd ed R.J. Abraham, J. Fisher, P. Lofhuts, Introduction to NMR Spectroscopy, J.K.M. Sanders, B.K. Hunter, Modern NMR Spectroscopy, E.D. Becker, High Resolution NMR, 3th ed., D.C. Harris, Nuclear Magnetic Resonance Spectroscopy: A Physicochemical View, 2nd ed., J.R. Bolton, J.E. Wertz, Electron Spin Resonance: Elementary Theory and applications, N.M. Atherton, Principles of Electron Spin Resonance, P.K. Ghosh, Introduction to Photoelectron Spectroscopy, T.L: Barr, Modern ESCA: The Principles and Practice of X-Ray Photoelectron Spectroscopy, J.W. Rabalais, Principles of Ultraviolet Photoelectron Spectroscopy, /6

6 - D.P.E. Dickson, F.J. Berry (Eds.), Mossbauer Spectroscopy, N.N. Greenwood, T.C. Gibb, Mossbauer Spectroscopy, D. Neuhaus, M.P. Williamson, The Nuclear Overhauser Effect, 1989 Problemas: - P.W. Atkins, Students' Solutions Manual for Physical Chemistry, 8th ed., I.N. Levine, Students Solutions Manual to Accompany Physical Chemistry, 8th ed., J. Bertran Rusca, J. Nuñez Delgado, Problemas de Química Física, 2007 COORDINATION CRITERIA - Delivery date job - Performing activities SCHEDULE Activity Period Assessment activities Debates Group presentation Group work (cooperative ) 1# Week # Week # Week # Week # Week # Week # Week # Week # Week # Week # Week # Week # Week # Week Total hours: Laboratory Lectures Seminar 6/6