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Syllabus 2020-21 - 10312007 - Atomic-Molecular Structure and Spectroscopy (Estructura atómico-molecular y espectroscopia)
- Level 1: Tutorial support sessions, materials and exams in this language
- Level 2: Tutorial support sessions, materials, exams and seminars in this language
- Level 3: Tutorial support sessions, materials, exams, seminars and regular lectures in this language
DEGREE: | Grado en Químicas |
FACULTY: | FACULTY OF EXPERIMENTAL SCIENCES |
ACADEMIC YEAR: | 2020-21 |
COURSE: | Atomic-Molecular Structure and Spectroscopy |
NAME: Atomic-Molecular Structure and Spectroscopy | |||||
CODE: 10312007 | ACADEMIC YEAR: 2020-21 | ||||
LANGUAGE: English | LEVEL: 3 | ||||
ECTS CREDITS: 6.0 | YEAR: 3 | SEMESTER: PC |
NAME: PEÑA RUIZ, TOMÁS | ||
DEPARTMENT: U127 - QUIMÍCA FÍSICA Y ANALÍTICA | ||
FIELD OF STUDY: 755 - QUÍMICA FÍSICA | ||
OFFICE NO.: B3 - 112 | E-MAIL: truiz@ujaen.es | P: 953213648 |
WEBSITE: http://www10.ujaen.es/conocenos/departamentos/quifis/inicio | ||
ORCID: https://orcid.org/0000-0003-0456-8659 | ||
LANGUAGE: - | LEVEL: 3 | |
NAME: PARTAL UREÑA, FRANCISCO | ||
DEPARTMENT: U127 - QUIMÍCA FÍSICA Y ANALÍTICA | ||
FIELD OF STUDY: 755 - QUÍMICA FÍSICA | ||
OFFICE NO.: B3 - 126 | E-MAIL: fpartal@ujaen.es | P: 953212555 |
WEBSITE: http://www4.ujaen.es/~fpartal/ | ||
ORCID: https://orcid.org/0000-0002-5554-1205 | ||
LANGUAGE: - | LEVEL: 3 |
Lesson 1.- Fundamentals of Quantum Mechanics (3 hours)
- Origins of Quantum Mechanics
- Operators. Eigenvalues equations.
- Hermitian operators. Commutation.
- The postulates of Quantum Mechanics.
- Superposition principle
Lesson 2.- Using Quantum Mechanics. Symple Systems (2 hours)
- The free particle in one dimension.
- The particle in a one-dimensional box.
- The particle in a two- and three-dimensional box. Degeneracy.
- Tunneling.
- Harmonic oscillator.
Lesson 3.- Angular momentum in Quantum Mechanics (3 hours)
- Angular momentum operators
- Rigid rotor
- Angular momentum coupling.
- Ladder operators. Coupled angular momentum eigenfunctions.
Lesson 4.- Atomic structure. Hydrogen atom (3 hours)
- The hydrogen atom
- Radial function properties
- Orbital angular momentum
- Electronic spin
- States of the hydrogen atom. Hydrogenlike orbitals.
Lesson 5.- Atomic structure. Polyelectronic atoms (3 hours)
- Approximation methods in Quantum Mechanics. Variation method. Perturbation method.
- Electron configuration. Aufbau principle.
- Spin - Orbit interaction.
Lesson 6.- Electronic structure of diatomic molecules (3 hours)
- The hydrogen molecule and other homonuclear diatomic molecules. LCAO and VB methods
- Configuration interaction
- Molecular electronic terms
- Heteronuclear diatomic molecules
Lesson 7.- Electronic structure of polyatomic molecules (3 hours)
- Localized bonds
- Hybrid orbitals. Hybridization models.
- Delocalized bonds.
- Conjugated organic compounds. Hückel's method.
Lesson 8.- Interaction of electromagnetic radiation and matter (3 hours)
- Absorption and emission. Einstein's coefficients.
- Selection rules.
- Spectral line width and intensity. Lambert Beer's law
- Inelastic scattering. Raman effect
Lesson 9.- Vibrational and rotational spectroscopy of diatomic molecules (3 hours)
- Fundamentals of vibrations and rotations
- Centrifugal distortion
- Vibration-rotation coupling
- Vibrational anharmonicity. Selection rules
- Spectroscopic constants from vibrational spectra
- Analysis of microwave spectra
Lesson 10.- Vibrational and rotational spectroscopy of polyatomic molecules (3 hours)
- Rotational spectroscopy of linear molecules
- Vibrational spectroscopy of polyatomic molecules
- Characteristic frequencies.
- Rotational states of non-linear polyatomic molecules
Lesson 11.- Electronic spectroscopy (3 hours)
- Atomic spectra. General features and selection rules
- Electronic spectra of diatomic molecules. Vibrational structure and Franck-Condon's principle
- Polyatomic molecules: chromophores and d-d transitions
- Emission spectra: Fluorescence and phosphorescence
Lesson 12.- Nuclear Magnetic Resonance (NMR) spectroscopy (3 hours)
- Nuclear spin
- Nuclear spin states. Energy
- Spin - spin coupling
- Electron Spin Resonance (ESR) spectroscopy
- External field effect: Stark and Zeeman effects
The theoretical lessons will be explained by using the master class method along 35-38 hours. In addition, 20 hours will be devoted to numerical exercises in seminars. Writting exercises will be proposed to reinforce the theoretical background. In addtion, lists of numerical exercises will be delivered to the students and solved in class. Other activities could be proposed to the students.
Students with special educational needs should contact the Student Attention Service (Servicio de Atención y Ayudas al Estudiante) in order to receive the appropriate academic support
Aspect S2, theory, is assessed by using an exam that includes both questions of theory and numerical exercises. It amounts to 70% of the final marks for this subject.
The exam consists of type test section, a short answer one and a series of numerical exercises
Aspects S1 and S3 account for the remaining 30% of the final marks of the subject. Although these qualifactions will be only considered provided the exam marks amount to 4 points out of 10.
Competences assessment
S2 - written exam: B3,C4,C6,Q1,Q2.
S1,S3- written exam + other academic tasks: B3,C4,C6,Q1,Q2,Q5.
- Molecular quantum mechanics. Edition: 5th ed. Author: Atkins, Peter W. Publisher: Oxford [etc.]: Oxford University Press, 2011 (Library)
- Quantum chemistry. Edition: 7th ed.. Author: Levine, Ira N.. Publisher: Boston ; Madrid [etc.] : Pearson, cop. 2014 (Library)
- Modern spectroscopy. Edition: 4th ed. Author: Hollas, J. Michael. Publisher: Chichester [etc.]: John Wiley & Sons, cop. 2003 (Library)
TEACHING METHODOLOGY AND TRAINING ACTIVITIES
Training activities |
Mode (in-person/online) |
Teaching methodology. Description |
38 large group sessions. 1h/session. Teaching/Learning theoretical contents |
100% online. This criterion may change upon Faculty of Experimental Sciences instructions |
Lectures and participatory activities will be conducted in order to improve theoretical concepts learning. The teaching procedure will be sincronous online by videocall done according to the Schedule supplied by the Faculty of Experimental. |
20 small group sessions. 2H/session. Application of theoretical contents |
100% attendance. This criterion may change upon Faculty of Experimental Sciences instructions. |
Numerical exercises will be solved in order to apply the theoretical concepts. In addition, any other interesting activity or task could be considered. |
Large group tutoring. 2 hours |
100% online |
This sessions will be conducted in sincronous online mode by videocall. Different activities and tasks will be accomplished to deal with the whole theoretical programme making doubts and conceptual errors arise. |
Individual tutoring |
100% online |
Sessions will be held in sincronous as well as asincronous online mode using videocall and email respectively. |
ASSESSMENT PROCEDURE
The assessment methodology and criteria are used in both the ordinary I call and the extraordinary II one.
Aspect |
Criterion |
Instrument |
Weight |
S1: Contribution to activities and tasks
|
Contribution to Academically Directed Activities consisting of tests short- answer question, etc. They will be considered along with activities of the S3 aspect provided the exam qualification (S2) is higher than 4 points out of 10. |
Performing test, short answer questions and/or other activities in asincronous online mode |
20% |
S2: Theoretical concepts |
Theoretical learning |
Exam. 100% attendance, but for instructions from the Faculty of Experimental Science. In such a case the exam will be conducted in sincronous online mode |
50% |
S3: Work with numerical exercises and/or other activities |
Practice learning |
Resolution of numerical exercises in asincronous online mode |
30% |
RESOURCES
The resources to be used are those supplied by the University of Jaén as the teaching virtual platform, Google tools, etc.
TEACHING METHODOLOGY AND TRAINING ACTIVITIES
Training activities |
Mode (in-person/online) |
Teaching methodology. Description |
38 large group sessions. 1h/session. Teaching/Learning theoretical contents |
Online |
Lectures and participatory activities will be conducted in order to improve theoretical concepts learning. The teaching procedure will be sincronous online by videocall done according to the Schedule supplied by the Faculty of Experimental. |
20 small group sessions. 2H/session. Application of theoretical contents |
Online |
Numerical exercises will be solved in order to apply the theoretical concepts. In addition, any other interesting activity or task could be considered. The teaching procedure will be sincronous online by videocall done according to the Schedule supplied by the Faculty of Experimental. |
Large group tutoring. 2 hours |
Online |
This sessions will be conducted in sincronous online mode by videocall. Different activities and tasks will be accomplished to deal with the whole theoretical programme making doubts and conceptual errors arise. |
Individual tutoring |
Online |
Sessions will be held in sincronous as well as asincronous online mode using videocall and email respectively. |
ASSESSMENT PROCEDURE
The assessment methodology and criteria are used in both the ordinary I call and the extraordinary II one.
Aspect |
Criterion |
Instrument |
Weight |
S1: Contribution to activities and tasks
|
Contribution to Academically Directed Activities consisting of tests short- answer question, etc. They will be considered along with activities of the S3 aspect provided the exam qualification (S2) is higher than 4 points out of 10. |
Performing test, short answer questions and/or other activities in asincronous online mode |
20% |
S2: Theoretical concepts |
Theoretical learning |
Exam. It will be conducted in sincronous online mode |
50% |
S3: Work with numerical exercises and/or other activities |
Practice learning |
Resolution of numerical exercises in asincronous online mode |
30% |
RESOURCES
The resources to be used are those supplied by the University of Jaén as the teaching virtual platform, Google tools, etc.
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Storage periods: those established in current in force regulations. In the specific case of exam videoconference recordings, not before the examination records and transcripts are closed or the exam can still be reviewed or challenged.
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Data protection delegate (DPO): TELEFÓNICA, S.A.U. ; Email: dpo@ujaen.es
Procedure aim: To manage proper recordings of teaching sessions with the aim of facilitating learning process under a multimodal and/or online teaching
Period for record storage: Images will be kept during legal term according to regulations in force
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Data recipients (transfers or assignments): Any person allowed to get access to every teaching modality
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