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Molecular Spectroscopy

Code:

BINF016

Sigla:

EM

Áreas Científicas
Classificação	Área Científica
OFICIAL	Química

Ocorrência: 2022/2023 - 1S

Ativa?	Yes
Unidade Responsável:	Departamento de Engenharia Química e Biológica
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	17	Study Plan	2	-	5	52,5	135

Língua de trabalho

Portuguese

Objetivos

This Unit/Subject will expand some of the themes introduced in the Unit/Subject "General Chemistry". Chemical bond and intermolecular forces will be explored/studied as an extension of the atom properties. 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 magnetic resonance are shown as structural analytical tools.

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

Pré-requisitos (conhecimentos prévios) e co-requisitos (conhecimentos simultâneos)

This unit has not previous requirements.

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 spectroscopy6.2- Fluorescence and fosforescence6.3- 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

Salema, M.; Exercícios sobre Ligação Química, Instituto Superior Técnico, 1996. 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
Maria de Lurdes Gonçalves; Métodos Instrumentais para a Análise de Soluções- Análise de Soluções, Fundação Calouste Gulbenkian
Dias, A. R.; Ligação Química, Instituto Superior Técnico, 1996. ISBN: 978-9-728-46949-8

Métodos de ensino e atividades de aprendizagem

Presence Methodology:- "Presentation of "Power Points" about each Chapter followed by a discussion.- Resolution of Practical Exercises associated to each chapter with a question/answer session.Access is given to all support documentation in Moodle platform.
This unit has also 3 laboratory classes in which the students can directly apply some Spectroscopy Techniques.

Tipo de avaliação

Distributed evaluation with final exam

Componentes de Avaliação

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

Componentes de Ocupação

Designation	Tempo (Horas)
Estudo autónomo	70,00
Frequência das aulas	45,00
Trabalho escrito	12,50
Trabalho laboratorial	7,50
Total:	135,00

Obtenção de frequência

Not applied.

Fórmula de cálculo da classificação final

Formula Evaluation: Final Classification= 0,45 x Classification Test 1 + 0,45 x Classification Test 2 + 0,1 x Laboratory work (in group).

or Final Classification = Classification Exam.

or Final Classification = 90 % Classification Exam + 10 % Laboratory Work.