Advanced Methods for Structural Analysis

Code:

Q4008

Acronym:

Q4008

Level:

400

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2013/2014 - 1S

Active?	Yes
Web Page:	https://moodle.up.pt/course/view.php?id=522
Responsible unit:	Department of Chemistry and Biochemistry
Course/CS Responsible:	Master in Chemistry

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
M:Q	35	Official study plan until 2022/2023	1	-	9	70	243

Teaching language

Suitable for English-speaking students

Objectives

It is intended that students acquire advanced skills in Structural Analysis Methods and their application to transversal areas, from Pure and Applied Chemistry or (Nano)Materials Science and Engineering, to Bioimaging.

 

Learning outcomes and competences

The following competences are to be acquired:

 Recognize the role of structural analysis methods in a wide range of applications, from Pure&Applied Chemistry or Materials Engineering to Biomedicine

- Learn the most relevant structural analysis techniques and their adequability according to the desired applications

- Identify the scope and limitations that characterize each of the relevant structural analysis methods

- Read/interpret scientific papers related to the course area

- Elaborate a monograph on a selected subject related to the course area

- Present an oral communication (“elevator pitch”) on a given subject related to the course area

Working method

Presencial

Pre-requirements (prior knowledge) and co-requirements (common knowledge)

Previous training in  "Análise Orgânica Estrutural" and "Química Inorgânica Aplicada" courses, from the 1º cycle in Chemistry (FCUP) is advisable.

Program

1 Mass spectrometry (MS). Chemical ionization (CI), electrospray (ES), matrix-assisted laser desorption ionization (MALDI). Mass analysers (Ion trap, quadrupole and TOF). Applications: GC- and HPLC-MSn, exact mass determination (elemental analysis), structural analysis, proteomics.

2 Vibrational spectroscopy: Infra-red and Raman. Theoretical principles and spectral interpretation.

3 Magnetic resonance techniques: nuclear magnetic resonance (2D solution and solid state) and electron paramagnetic resonance. Theoretical principles and spectra interpretation.

4 X-Ray Photoelectron Spectroscopy (XPS) and X-ray absorption spectroscopy (XAS –XANES and EXAFS). Theoretical principles. Spectra interpretation.

5 Scanning probe microscopy (SPM – atomic force microscopy and Scanning Tunnelling Microscopy) e electronic microscopy (electron scanning (SEM), electron transmission (TEM) and high resolution electron transmission (HRTEM). Theoretical principles and examples.

6 X-ray difraction: monocrystal crystallography and powder diffraction. Theoretical principles and spectra interpretation.

7 Case studies

 

Mandatory literature

R.M. Silverstein, F. X. Webster, D. J. Kiemle; Spectrometic identification of organic compounds, WILEY, 2005. ISBN: 0-471-39362-2
Yang Leng; Materials Characterization: Introduction to Microscopic and Spectroscopic Methods, WILEY-VCH, 2010. ISBN: 9780470823002
Kazuo Nakamoto; Infrared and Raman Spectra of Inorganic and Coordination Compounds: Part A: Theory and Applications in Inorganic Chemistry, WILEY, 2009. ISBN: 978-0-471-74339-2
Kazuo Nakamoto; Infrared and Raman Spectra of Inorganic and Coordination Compounds Part B: Applications in Coordination, Organometallic, and Bioinorganic Chemistry, WILEY, 2009. ISBN: 978-0-471-74493-1
M. Birkholz; Thin Film Analysis by X-Ray Scattering, WILEY-VCH , 2006. ISBN: 3-527-31052-5
B. H. Stuart; Infrared Spectroscopy: Fundamentals and Applications (Analytical Techniques in the Sciences (AnTs) *), John Wiley and Sons, 2004. ISBN: 0470854286
E. de Hoffman, V. Stroobant; Mass Spectrometry: Principles and Applications – 3rd ed. , Wiley-VCH, 2007. ISBN: 0470033118
H. Friebolin; Basic One- and Two-Dimensional NMR Spectroscopy – 5th ed. , Wiley-VCH, 2011. ISBN: 3527327827

Comments from the literature

Sites in the internet with complementary information on the techniques, as well as scientific papers and other documents, will be made availabe to students through the Moodle platform

Teaching methods and learning activities

- Lectures: Presentation of syllabus topics using multimedia tools; specialized topics will be presented by invited guests. The UC management will be made using the Moodle platform. 

- Tutorial sessions: Analysis of scientific papers; flash presentations on scientific papers; resolution of case studies involving structural analysis techniques; summary reports on lectures by invited guests; application of concepts learnt in the ellaboration of original scientific materials, e.g., monographs and oral presentations on topics related to the course.

keywords

Physical sciences > Chemistry > Instrumental techniques
Technological sciences > Engineering > Materials engineering
Physical sciences > Chemistry > Structural chemistry
Physical sciences > Physics > Condensed matter properties

Evaluation Type

Distributed evaluation with final exam

Assessment Components

designation	Weight (%)
Exame	40,00
Participação presencial	35,00
Trabalho escrito	25,00
Total:	100,00

Amount of time allocated to each course unit

designation	Time (hours)
Elaboração de relatório/dissertação/tese	100,00
Estudo autónomo	100,00
Frequência das aulas	70,00
Total:	270,00

Eligibility for exams

Terms of frequency:

Ordinary students

The student need to have a make higher than 9.5 in the evaluation of the tutoril sessionsThe students can not miss to more than 1/4 of the tutoral sessions - 3 sessions

Working students

These students do not need to participate in the tutorial sessions and its evaluation. Nevertheless, if they want to participate as a ordinary student it is mandatory that tehy follow their frequency

Calculation formula of final grade

ORDINARY STUDENTS

1 Final exam (ExF):40%
Minimum mark 8.0 (on a 0 to 20 scale, rounded to decimal places).

2 Monograph: 25%
on a topic established at the beginning of the UC.
Minimum mark 8.0 (on a 0 to 20 scale, rounded to decimal places).

3 Activities in the course of tutorial sessions: 35%
oral and poster presentations, resolution of case studies, homework, summary reports on lectures. minimum mark 9.5 (on a 0 to 20 scale, rounded to decimal places).


Students in conditions, and willing, to apply for a final mark of 19 (on a 0 to 20 scale) must be submitted to a mandatory ORAL EXAM.

 

PARA ALUNOS COM ESTATUTO DE TRABALHADOR-ESTUDANTE

1 Exame final (ExF): 70% 

nota mínima de 8,0 valores (arredondamento às décimas).

2 Trabalho Monográfico: 30%

sobre um tema acordado no início do funcionamento da UC e respectiva apresentação oral. Nota mínimade 8,0 valores (arredon damento às décimas).

Os alunos que estejam em condições de obter uma classificação final igual ou superior a 19 valores terão de realizar obrigatoriamente uma PROVA ORAL.

Examinations or Special Assignments

1 Elaboration of a Monography

2 Oral presentations

Special assessment (TE, DA, ...)

See the "fórmula de cálculo da avaliação final"

Classification improvement

This is the first year of this UC

Observations

The students should have background in basic techniques for caracterization of  molecules and materials (organic and inorganic based)