Molecular Energetics

Code:

Q4063

Acronym:

Q4063

Keywords
Classification	Keyword
OFICIAL	Chemistry

Instance: 2017/2018 - 2S

Active?	Yes
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	7	Official study plan until 2022/2023	1	-	6	56	162

Teaching language

English

Objectives

This course deals with the thermodynamic stability of molecules and the use of thermochemical and thermophysical studies aiming at the understanding of the molecular energetics, as well as their practical applications in several areas of science.

Learning outcomes and competences

At the end of this course the student should:

- Recognize the importance of the molecular energetic characterization in chemistry in general, in the academic and applied views.

- Select "key" compounds for the establishment of energetic-structural correlations.

- Know how to discuss the impact that this Physical Chemistry area has in terms of the information available for the definition of strategies in general studies of reactivity.

Working method

Presencial

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

Introductory course on classical thermodynamics.

Program

1-THERMODYNAMIC BACKGROUND

2-EXPERIMENTAL DETERMINATION OF ENTHALPIES OF REACTION

Calorimetric techniques and methods for the determination of thermochemical and thermophysical data: combustion, reaction-solution, heat flow, titration, photoacoustic, differential scanning calorimetry.

3-THERMODYNAMIC PROPERTIES OF PHASE-TRANSITION

Importance of the thermodynamic properties of fusion, vaporization and sublimation.

Theoretical and practical aspects of the measurement of vapour pressures and of the determination of enthalpies, entropies and Gibbs energies of vaporization and sublimation and of energies of intermolecular hydrogen bonds.

 

4-COMPUTACIONAL THERMOCHEMISTRY

The practical application of thermochemical data in science and technology. Estimation of reaction enthalpies. Bond energy terms and schemes.

5-MOLECULAR ENERGETICS

Thermodynamic data as a framework to discuss molecular stability. Relations on the energetics of the chemical bonds with the structural and reactivity properties of compounds. Relations of entropy and enthalpy of sublimation with structural properties of crystals.

 

Mandatory literature

Simões José A. Martinho; Molecular energetics. ISBN: 978-0-19-513319-6

Teaching methods and learning activities

In the lectures are presented  the contents of the curricular unit, encouraging the active participation of students. Digital educational resources will be used where appropriate to a better understanding of the topics studied.

In tutorial and practical classes, students may use the theoretical fundamentals on solving practical problems, as well as performing laboratory work involving techniques specific to this field.

The classes also include the development of a current topic, which will be presented orally.

keywords

Physical sciences > Chemistry > Physical chemistry

Evaluation Type

Distributed evaluation with final exam

Assessment Components

designation	Weight (%)
Exame	50,00
Trabalho laboratorial	50,00
Total:	100,00

Calculation formula of final grade

The final mark, NF, of the curricular unit is calculated as follows:

NF = 0,50 x AC + 0,50 E.

The continuous evaluation score, AC, includes problem solving and practical work (laboratory experiments and their reports 70%; short monograph 20%;  teacher´s information 10%)

 The mark E is the classification obtained in a written exam at the end of the semester.