Molecular Spectroscopy

Code:

BINF016

Sigla:

Áreas Científicas
Classificação	Área Científica
OFICIAL	Química

Ocorrência: 2020/2021 - 1S

Ativa?	Yes
Unidade Responsável:	Química
Curso/CE Responsável:	Undergraduate in Bioinformatics

Ciclos de Estudo/Cursos

Sigla	Nº de Estudantes	Plano de Estudos	Anos Curriculares	Créditos UCN	Créditos ECTS	Horas de Contacto	Horas Totais
BINF	26	Study Plan	2	-	5	52,5	135

Docência - Responsabilidades

Docente	Responsabilidade
Joana Luís Refoios de Noronha Tudella

Docência - Horas

Theorethical and Practical :

3,00

Type	Docente	Turmas	Horas
Theorethical and Practical	Totais	1	3,00
Theorethical and Practical	Joana Luís Refoios de Noronha Tudella		3,00

Língua de trabalho

Portuguese

Objetivos

This Unit/Subject has as main objective to deepen the concepts of chemical bond, presenting the spectroscopic techniques as a tool to observe the properties of the atoms, molecules and chemical bonds. This Unit/Subject will expand some of the themes introduced in the Unit/Subject "Química Geral"- General Chemistry. Chemical bond will be explored/studied as an extension of the atom properties, including an initial computational approach. An introduction to thermodinamics is also included. Absorption spectroscopies will be presented in close relation to the structural characteristics that they enlighten; mass spectrometry and nuclear magnatic resonance are shown as structural analytical tools in correlation with absorption spectroscopies and in parallel with compultational approaches usually used to solve and model structures.

Resultados de aprendizagem e competências

During the Unit/Subject "Espectroscopia Molecular"- Molecular Spectroscopy, the students shall be able to interpret several types of Spectra and correlate the spectra with the structures of the studied compounds.
They shall use the kwowledge previously acquired in General Chemistry and Organic Chemistry and complete it with the knowledge acquired focusing on the diffrent types of Spectroscopy.

Modo de trabalho

Presencial

Programa

1. Atoms and Molecular structures. Chemical bond and shared eletrons. Electronegativity and polar bonds. Metallic bond.
2- Repulsion of the valence electron pairs Theory; Molecular Orbital Theory; Valence Bond Theory;
3- Molecular Geometry. Simetry and simetry deviations.
4- Molecular interactions: electrostatic interactions and hydrogen bonds.
5- Introduction to thermodynamics - enthalpy, entrophy, and Gibbs energy on the interaction of atoms and molecules.
6- Spectroscopy as a consequence of the structure- electrons, atoms and molecules as a source of spectroscopical signals.
6.1- Ultraviolet-visibel spectroscopy
6.2- Fluorescence and fosforescence
6.3- Infrared spectroscopy - bond vibration and structural ellucidation.
6.4- Nuclear magnetic resonance and mass spectrometry as tools for structural ellucidation.
6.5- X-Ray Diffraction for cristal analysis.

Bibliografia Obrigatória

Dias, A. R.; Ligação Química, Instituto Superior Técnico. ISBN: 978-9-728-46949-8
Salema, M.; Exercícios sobre Ligação Química, Instituto Superior Técnico. ISBN: 978-9-728-46993- 1
Lampman, G.M., Pavia, D.L; Introduction to Spectroscopy , International Edition, Brooks Cole. ISBN: 978- 0-538-73418-9
Atkins, P., de Paula, J.; Elements of Physical Chemistry, OUP Oxford. ISBN: 978-0-199-60811-9
Chang, R.; Physical Chemistry for the Biosciences, University Science Books. ISBN: 978-1-891- 38933-7

Bibliografia Complementar

Maria de Lurdes Gonçalves; Métodos Instrumentais para a Análise de Soluções- Análise de Soluções, Fundação Calouste Gulbenkian, 1996
J. J. Teixeira Dias; Espectroscopia Molecular, Fundação Calouste Gulbenkian

Métodos de ensino e atividades de aprendizagem

Presence Methodology:
- "Presentaion of "Power Points" about each Chapter followed by a discussion.
- Resolution of Practical Exercises associated to each chapter with a question/answer session.

Online Methodology:
- Theoretical lessons ("power-points") and practical lessons ( " Practical Exercises") performed using Zoom.
- Access is given to all support documentation in Moodle platform.

Tipo de avaliação

Distributed evaluation with final exam

Componentes de Avaliação

Designation	Peso (%)
Teste	90,00
Trabalho escrito	10,00
Total:	100,00

Componentes de Ocupação

Designation	Tempo (Horas)
Frequência das aulas	45,00
Trabalho escrito	7,50
Total:	52,50

Obtenção de frequência

Não há frequência obrigatória.

Fórmula de cálculo da classificação final

Final Classification= 0,45 x Classification Test 1 + 0,45 x Classification Test 2 + 0,1 x Written work (in group).

Tests 1 and 2 will be carried out in presence mode. In case it is not possible, they may be carried out online, using the Moodle platform.

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