Study programme competencies |
Code
|
Study programme competences / results
|
A1 |
Coñecemento das realidades interdisciplinares da Química e do Medio Ambiente, dos temas punteiros nestas disciplinas e das perspectivas de futuro. |
A2 |
Deseño de novas especies químicas e materiais con propiedades determinadas. |
A3 |
Capacitar ao alumno para o desenvolvemento dun traballo de investigación nun campo da Química ou do Medio Ambiente, incluíndo os procesos de caracterización de materiais, o estudo das súas propiedades fisicoquímicas e biolóxicas e dos procesos que poden sufrir no medio natural. |
A4 |
Coñecer en profundidade as características e fundamentos de diversos modelos químicos para o estudo de sistemas orgánicos, inorgánicos e biolóxicos, incluídos os materiais con proxección tecnológica. |
A5 |
Capacitación para o deseño de vías de síntese e retrosíntese de novos compostos. |
A11 |
Coñecer as distintas técnicas experimentais e computacionales orientadas á caracterización de mecanismos de reacción. |
B1 |
Posuír e comprender coñecementos que acheguen unha base ou oportunidade de ser orixinais no desenvolvemento e/ou aplicación de ideas, a miúdo nun contexto de investigación. |
B2 |
Que os estudantes saiban aplicar os coñecementos adquiridos e a súa capacidade de resolución de problemas en contornas novas ou pouco coñecidos dentro de contextos máis amplos (ou multidisciplinares) relacionados coa súa área de estudo. |
B3 |
Que os estudantes sexan capaces de integrar coñecementos e enfrontarse á complexidade de formular xuízos a partir dunha información que, sendo incompleta ou limitada, inclúa reflexións sobre as responsabilidades sociais e éticas vinculadas á aplicación dos seus coñecementos e suizos. |
B4 |
Que os estudantes saiban comunicar as súas conclusións e os coñecementos e razóns últimas que as sustentan a públicos especializados e non especializados dun modo claro e sen ambigüedades. |
B6 |
Ser capaz de analizar datos e situacións, xestionar a información dispoñible e sintetizala, todo iso a un nivel especializado. |
C3 |
Ser capaz de adaptarse a situacións novas, mostrando creatividade, iniciativa, espírito emprendedor e capacidade de liderado. |
C5 |
Dominar a expresión e a comprensión de forma oral e escrita dun idioma estranxeiro. |
C6 |
Utilizar as ferramentas básicas das tecnoloxías da información e as comunicacións (TIC) necesarias para o exercicio da súa profesión e para a aprendizaxe ao longo da súa vida. |
C9 |
Valorar criticamente o coñecemento, a tecnoloxía e a información dispoñible para resolver os problemas cos que deben enfrontarse. |
C11 |
Valorar a importancia que ten a investigación, a innovación e o desenvolvemento tecnolóxico no avance socioeconómico e cultural da sociedade. |
Learning aims |
Learning outcomes |
Study programme competences / results |
Know in depth the characteristics and foundations of various models for the study of the structure, properties and reactivity of organic and organometallic compounds. Know and apply the basic techniques of computational chemistry in the study of the structure, properties and reaction processes of organic and organometallic compounds |
AC1 AC3 AC4 AC11
|
BC1 BC2 BC4 BC6
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CC6 CC9
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Knowledge designing retrosynthetic analysis and synthetic routes by using organometallic reagents |
AC2 AC5
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BC3
|
CC3 CC5 CC11
|
Contents |
Topic |
Sub-topic |
Chapter 1: Steric, conformational and stereoelectronic control of the reactivity |
1.1 Enantiomers, diastereomers, prochirality. 1.2. Conformational analysis. 1.3 Computational methods for the conformacional analysis: molecular mechanics, electronic structure methods. 1.4 Stereoelectronic effects and reactivity. 1.5 Baldwin rule´s. Winstein-Holmes ecuation and Curtin-Hammett prionciple |
Chapter 2: Organometallic Chemistry in Organic Synthesis |
2.1 Organometallic chemistry in organic synthesis: fundamentals and reaction mechanisms; 2.2 Cross-coupling reactions; 2.3 Reactions of alkenes and alkynes: insertion, electrophilic addition and carbonylation; 2.4 Reactions of carbenes; 2.5 Reactions of C-H activation |
Experiment 1 |
Resolution of problems related to the analysis of the reactivity of organic compounds by computational methods. |
Planning |
Methodologies / tests |
Competencies / Results |
Teaching hours (in-person & virtual) |
Student’s personal work hours |
Total hours |
Guest lecture / keynote speech |
A1 A2 A3 A4 A5 A11 C5 |
12 |
0 |
12 |
ICT practicals |
A2 A3 A5 A11 B1 B2 B6 C6 |
4 |
4 |
8 |
Supervised projects |
A11 B1 B2 B6 C3 C6 |
0 |
20 |
20 |
Seminar |
A3 A4 A5 B2 B3 B4 B6 C3 C5 C9 C11 |
2 |
16 |
18 |
Objective test |
A5 B2 |
2 |
10 |
12 |
Oral presentation |
A3 A4 A11 B1 B2 B4 C11 |
1 |
3 |
4 |
|
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 |
Development of the fundamental contents of the program by means of theoretical explanations and practical examples. |
ICT practicals |
Analysis and resolution of the problems selected by the teacher, through the use of computational methods. |
Supervised projects |
Computational analysis of a reaction process and elaboration of a short presentation of the results obtained |
Seminar |
Exercises related with the contents of organometalic chemistry will be solved in the seminars. The students will have to prepare written solutions, deliver them to the professor and expose them during the seminar |
Objective test |
A written test related to the part of organometallic chemistry should be passed. It will consist of solving similar exercises to those dealt with in the seminars. |
Oral presentation |
Oral presentation of the supervised project about molecular modelling |
Personalized attention |
Methodologies
|
Seminar |
Objective test |
Supervised projects |
ICT practicals |
|
Description |
The student will have the help of the professor for the resolution of the doubts that could pose him during the preparation of the projects |
|
Assessment |
Methodologies
|
Competencies / Results |
Description
|
Qualification
|
Seminar |
A3 A4 A5 B2 B3 B4 B6 C3 C5 C9 C11 |
The solutions written by the students and the oral presentations about the problems posed on organometalic chemistry will be evaluated |
20 |
Objective test |
A5 B2 |
The solutions to the exercises will count for the final score |
30 |
Supervised projects |
A11 B1 B2 B6 C3 C6 |
Evaluation of the computational analysis performed by the student on a system of his interest |
30 |
ICT practicals |
A2 A3 A5 A11 B1 B2 B6 C6 |
Continuous evaluation of the work in the laboratory will take into account the interest and the attitude of the student and the skills reached in the experimental procedures and the utilization of the computational tools for the molecular modellization of the reaction process |
10 |
Oral presentation |
A3 A4 A11 B1 B2 B4 C11 |
Assessment of the oral presentation about molecular modelling of reaction process |
10 |
|
Assessment comments |
All activities are mandatory
|
Sources of information |
Basic
|
Foresman, J. B.; Frisch, A. (1996). Exploring Chemistry with Electronic Structure Methods. Pittsburg, PA: Gaussian
Jensen, Frank (2017). Introduction to Computational Chemistry. Wiley
Robinson, M. J. T (). Organic Stereochemistry. Oxford: University Press
Bates, R. (). Organic Synthesis using Transition Metals Second edition . Blackwell
Eliel, E. L (). Stereochemistry of Organic Compounds. New York: Wiley
Hegedus, L. S. (). Transition Metals in the Synthesis of Complex Organic Molecules. Mill Valley: University Science Books |
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Complementary
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Recommendations |
Subjects that it is recommended to have taken before |
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Subjects that are recommended to be taken simultaneously |
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Subjects that continue the syllabus |
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Other comments |
Green Campus Program - Faculty of Sciences In order to help achieve an immediate sustainable environment and comply with point 6 of the "Declaración Ambiental da Facultade de Ciencias (2020)", the work carried out in QO1 will be mostly requested in virtual format and computer media. |
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