Guías Docentes Electrónicas
1. General information
Course:
PHYSICAL-CHEMISTRY III: POLYATOMIC MOLECULES AND A
Code:
57319
Type:
CORE COURSE
ECTS credits:
6
Degree:
409 - CHEMISTRY
Academic year:
2022-23
Center:
1 - FACULTY OF SCIENCE AND CHEMICAL TECHNOLOGY
Group(s):
20  23 
Year:
3
Duration:
First quarter
Main language:
Spanish
Second language:
English
Use of additional languages:
English Friendly:
Y
Web site:
Bilingual:
N
Lecturer: BERNABE BALLESTEROS RUIZ - Group(s): 20  23 
Building/Office
Department
Phone number
Email
Office hours
Marie Curie, primera planta
QUÍMICA FÍSICA
3505
bernabe.ballesteros@uclm.es
Monday, Tuesday: 9-11h Thursday: 17-19h.

Lecturer: MARIA DEL PILAR MARTIN PORRERO - Group(s): 20  23 
Building/Office
Department
Phone number
Email
Office hours
Marie Curie, 2ª planta
QUÍMICA FÍSICA
3486
mariapilar.martin@uclm.es
Monday 11 to 13, wednesday and thursday 16 to 18

Lecturer: LUCIA SANTOS PEINADO - Group(s): 20  23 
Building/Office
Department
Phone number
Email
Office hours
Edifico Marie Curie/2.05
QUÍMICA FÍSICA
3454
lucia.santos@uclm.es
Monday, wednesday and thursday from 16 to18

2. Pre-Requisites

They have not been established, but it is advisable to have passed the subject Physical Chemistry II: Introduction to Quantum Chemistry and Spectroscopy.

3. Justification in the curriculum, relation to other subjects and to the profession

In this subject the application of Quantum Mechanics extends to the study of polyatomic molecules in order to obtain the molecular structure and properties of them. This allows to address the spectroscopy of polyatomic molecules, filling in the contents of the "Physical Chemistry II: Introduction to Quantum Chemistry and Spectroscopy". Likewise, the Statistical Thermodynamics is presented, which allows to relate the molecular properties with the macroscopic thermodynamic properties ("Physical Chemistry I: Chemical Thermodynamics").


In this subject, computational calculations are used that are currently considered an essential tool in the different branches of Chemistry.


4. Degree competences achieved in this course
Course competences
Code Description
E07 Relate macroscopic properties with those of atoms, molecules and non-molecular chemical compounds
E08 Know the principles of quantum mechanics and their application to the structure of atoms and molecules
E15 Know how to handle the standard chemical instrumentation and be able to elaborate and manage standardized procedures of work in the laboratory and chemical industry
E16 Plan, design and develop projects and experiments
G01 Know the principles and theories of Chemistry, as well as the methodologies and applications characteristic of analytical chemistry, physical chemistry, inorganic chemistry and organic chemistry, understanding the physical and mathematical bases that require
G02 Be able to gather and interpret data, information and relevant results, obtain conclusions and issue reasoned reports on scientific, technological or other problems that require the use of chemical tools
T10 Ability to use specific software for chemistry at user level
T11 Ability to obtain bibliographic information, including Internet resources
5. Objectives or Learning Outcomes
Course learning outcomes
Description
Ability to solve chemical problems applying the proper methodologies of physical chemistry
Ability to correctly use scientific language.
Dexterity in the analysis of errors of the magnitudes measured in the laboratory and in the use of computer programs for the treatment of experimental data.
Skill in the use of computer programs for calculating properties of matter and simulation of chemical.
Ability to search, understand and use relevant bibliographic and technical information.
Ability to understand and predict the behavior and reactivity of atoms and molecules from their structural characteristics, which can be determined from spectroscopic data or quantum chemical calculations
Additional outcomes
Not established.
6. Units / Contents
  • Unit 1: Theory of groups and molecular symmetry
  • Unit 2: Structure of polyatomic molecules
  • Unit 3: Spectroscopy of polyatomic molecules
  • Unit 4: Spectroscopies of resonance
  • Unit 5: Statistical thermodynamics.
  • Unit 6: Calculation of thermodynamic magnitudes
  • Unit 7: Intermolecular forces: real gases.
  • Unit 8: Condensed phases
  • Unit 9: Laboratory practices
7. Activities, Units/Modules and Methodology
Training Activity Methodology Related Competences ECTS Hours As Com Description
Class Attendance (theory) [ON-SITE] Lectures E07 E08 G01 T10 T11 0.88 22 N N Theory classes dedicated to explaining contents of the temary
Laboratory practice or sessions [ON-SITE] Practical or hands-on activities E07 E08 E15 E16 G02 T10 0.6 15 Y Y Carrying out practices in the laboratory for 3 days and in the computer room for 2 days
Workshops or seminars [ON-SITE] Workshops and Seminars E07 E08 G02 T10 T11 0.56 14 Y N Questions from seminars and problems previously raised and worked autonomously by the students will be resolved and clarified students. Occasionally a proposed problem will be worked individually in the classroom
Practicum and practical activities report writing or preparation [OFF-SITE] Self-study G02 0.32 8 Y Y Study of the scripts and preparation of a report with the results obtained in the laboratory practices.
Study and Exam Preparation [OFF-SITE] Combination of methods E07 E08 E16 G01 G02 T10 T11 3.28 82 N N Autonomous resolution of the problems or seminars raised and study of the theoretical contents of the program.
Mid-term test [ON-SITE] Assessment tests G01 0.06 1.5 Y N Partial written exam of the first 4 topics
Final test [ON-SITE] Assessment tests G01 0.1 2.5 Y Y Partial examination of the second part of the agenda with the possibility of recovering the first part.
Computer room practice [ON-SITE] Practical or hands-on activities E08 G02 T10 0.12 3 Y Y
Group tutoring sessions [ON-SITE] Group Work G02 T11 0.08 2 Y N
Total: 6 150
Total credits of in-class work: 2.4 Total class time hours: 60
Total credits of out of class work: 3.6 Total hours of out of class work: 90

As: Assessable training activity
Com: Training activity of compulsory overcoming (It will be essential to overcome both continuous and non-continuous assessment).

8. Evaluation criteria and Grading System
Evaluation System Continuous assessment Non-continuous evaluation * Description
Practicum and practical activities reports assessment 10.00% 10.00% Review of results reports
Laboratory sessions 10.00% 10.00% Continuous evaluation in the laboratory
Assessment of problem solving and/or case studies 20.00% 0.00% Follow-up in seminar classes
Mid-term tests 30.00% 0.00% Exam with questions and problems about the contents taught in the subject
Final test 30.00% 80.00% Exam with questions and problems about the contents taught in the subject. It will be 60% when the test involves the evaluation of the whole syllabus of the subject
Total: 100.00% 100.00%  
According to art. 6 of the UCLM Student Evaluation Regulations, it must be provided to students who cannot regularly attend face-to-face training activities the passing of the subject, having the right (art. 13.2) to be globally graded, in 2 annual calls per subject , an ordinary and an extraordinary one (evaluating 100% of the competences).

Evaluation criteria for the final exam:
  • Continuous assessment:
    1. Written exam with questions and problems about the content taught in the course (60% of the grade). This percentage can be divided into two partial exams (progress test and final test) or one final exam (final test).
    2. Continuous evaluation of laboratory work (10%) including the adequate preparation of the memory of results and test questions (10%).
    3. Continuous assessment of learning based on problem solving in the seminar hours (20%). The student will be asked to submit resolved exercises, solve different issues related to the subject, resolution of practical cases ...
    4.To apply the continuous assessment they must have at least a 4.5 in the progress tests (written exam)
  • Non-continuous evaluation:
    1. Written exam with questions and problems about the contents taught in the course, including questions about practices (80% of the mark). This exam will be different from the one carried out for those who follow the continuous evaluation with the aim of evaluating all the competences of the subject.
    2-20% the mark of the practices (work in the laboratory, report of the work done and results of the test questionnaires).

Specifications for the resit/retake exam:
1. Exam with questions and problems about the content taught in the subject (60% of the grade).
2. Continuous evaluation of laboratory work (10%) including the adequate preparation of the results memory and test questionnaires (10%).
3. Continuous assessment of problem-based learning in seminar hours (20%). The student will be asked to submit resolved exercises, solve different issues related to the subject, resolution of practical cases ...
The laboratory grade is kept for all students. If the laboratory has NOT been done, the subject will NOT be passed in any case. If the laboratory has been suspended in the ordinary call, the extraordinary call will include practical questions / activities.
The seminar grade is kept if it is higher than 5 during the continuous assessment course. Otherwise, the extraordinary call will have additional questions of the type required in the seminars.
Specifications for the second resit / retake exam:
1. Written exam with questions and problems about the contents taught in the course, including questions about practices (80% of the mark). This exam will be different from the one carried out for those who follow the continuous evaluation with the aim of evaluating all the competences of the subject.
2-20% the mark of the practices (work in the laboratory, report of the work done and results of the test questionnaires).
The student must have passed the laboratory in a previous call.
9. Assignments, course calendar and important dates
Not related to the syllabus/contents
Hours hours

Unit 1 (de 9): Theory of groups and molecular symmetry
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 2
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 1
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 6
Mid-term test [PRESENCIAL][Assessment tests] .5

Unit 2 (de 9): Structure of polyatomic molecules
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 5
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 2
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 13.75
Mid-term test [PRESENCIAL][Assessment tests] .5

Unit 3 (de 9): Spectroscopy of polyatomic molecules
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 5
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 2
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 13.75
Mid-term test [PRESENCIAL][Assessment tests] .5

Unit 4 (de 9): Spectroscopies of resonance
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 1
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 1
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 4

Unit 5 (de 9): Statistical thermodynamics.
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 3
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 2
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 9.75
Final test [PRESENCIAL][Assessment tests] .5

Unit 6 (de 9): Calculation of thermodynamic magnitudes
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 3
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 3
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 9.5
Final test [PRESENCIAL][Assessment tests] .33

Unit 7 (de 9): Intermolecular forces: real gases.
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 3
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 2
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 9.75
Final test [PRESENCIAL][Assessment tests] .5

Unit 8 (de 9): Condensed phases
Activities Hours
Class Attendance (theory) [PRESENCIAL][Lectures] 2
Workshops or seminars [PRESENCIAL][Workshops and Seminars] 1
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 6
Final test [PRESENCIAL][Assessment tests] .5

Unit 9 (de 9): Laboratory practices
Activities Hours
Laboratory practice or sessions [PRESENCIAL][Practical or hands-on activities] 18
Practicum and practical activities report writing or preparation [AUTÓNOMA][Self-study] 8
Study and Exam Preparation [AUTÓNOMA][Combination of methods] 9.5
Final test [PRESENCIAL][Assessment tests] .67

Global activity
Activities hours
10. Bibliography and Sources
Author(s) Title Book/Journal Citv Publishing house ISBN Year Description Link Catálogo biblioteca
 
Atkins, P. W. (1940-) Atkins química física Medica Panamericana 978-950-06-1248-7 2008 Ficha de la biblioteca
Atkins, P. W. (1940-) Molecular quantum mechanics Oxford University press 0-19-855947-X 2001 Ficha de la biblioteca
Bertrán Rusca y J. Núñez Delgado (coord.). Problemas de Química Física Delta Publicaciones, 84-96477-48-7 2007 Ficha de la biblioteca
Engel, Thomas Química física Pearson-Addison Wesley 84-7829-077-X 2006 Ficha de la biblioteca
Hollas, J. Michael Modern spectroscopy / John Wiley & Sons, 978-0-470-84416-8 2010 Ficha de la biblioteca
Levine, Ira N. Fisicoquímica McGraw Hill 84-481-4005-2 2004 Ficha de la biblioteca
Levine, Ira N. Problemas de fisicoquímica McGraw Hill 84-481-9833-6 2005 Ficha de la biblioteca
McQuarrie, Donald A. (Donald Allan) Physical chemistry : a molecular approach University Science Books 978-0-935702-99-6 1997 Ficha de la biblioteca



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