SubjectsSubjects(version: 861)
Course, academic year 2019/2020
  
Theoretical Principles of Inorganic Chemistry - M101004
Title: Teoretické principy anorganické chemie
Guaranteed by: Department of Inorganic Chemistry (101)
Actual: from 2019
Semester: both
Points: 4
E-Credits: 4
Examination process:
Hours per week, examination: 2/1 C+Ex [hours/week]
Capacity: winter:unknown / unknown (unknown)
summer:unknown / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Level:  
For type: Master's (post-Bachelor)
Additional information: http://Výuka probíhá jen v LS
Note: course can be enrolled in outside the study plan
enabled for web enrollment
you can enroll for the course in winter and in summer semester
Guarantor: Sedmidubský David prof. Dr. Ing.
Interchangeability : N101012, N101012A
This subject contains the following additional online materials
Annotation -
Last update: Pátková Vlasta (10.01.2018)
The basic concepts introduced in the courses of General and Inorganic Chemistry are summarized, generalized and extended using the knowledge and skills acquired in further courses following GIC=I and GIC-II: The course is devided in two units covering: (1) electronic structure of species forming the inorganic systems, (2) application of chemical thermodynamics in description of reactivity of inorganic substances. At the end the principal trends and unique properties of f-elements are discussed (this topic is not addressed in the basic courses of GIC)
Aim of the course -
Last update: Pátková Vlasta (10.01.2018)

Students will be able to:

Identify the ground and excited states of atoms and molecules and to interprete spectroscopic data

Construct the molecular orbitals diagrams of polyatomic molecules and complexes

Perform less complicated calculations of phase and chemical equilibria in inorganic systems

Interprete, complete and construct various types of phase diagrams

Propose the synthesis routes, assess the reactivity and properties of coordination complexes, elemental f-elements ans their compounds

Literature -
Last update: Pátková Vlasta (10.01.2018)

R: C.E.Housecroft, A.G.Sharpe, Anorganická chemie, 4. vydání, VŠCHT Praha, 2014

R: G.Wulfsberg, Inorganic Chemistry, University Science Books, 2000, 98053513

A: R.Polák, R.Zahradník, Kvantová chemie, SNTL, 1985, 0462185

A. P.W.Atkins, Fyzikální chemie, VŠCHT Praha, 2013

A: F.Weinhold, Chemical and Phase Thermodynamics, Wiley, 2009, 9780470402368

Learning resources -
Last update: Pátková Vlasta (10.01.2018)

FactSage - integrated database and calculation program for thermodynamic modeling of inorganic systems

Gaussian a GaussView - programs for calculation and visualization of electron structures of molecular substances

Maple

Requirements to the exam -
Last update: Pátková Vlasta (10.01.2018)

To obtain the credit an active participance in the tutorials is required and tested by individual solution of several (usually four) problems, as well as the participance in most lectures. The examination is oral.

Syllabus -
Last update: Pátková Vlasta (10.01.2018)

1. Symmetry of molecules and group theory application in inorganic chemistry.

2. Ground and excited states of atoms and ions, orbital and spin momentum.

3. Electrostatic ligand field theory, weak and strong field, Tanabe-Sugano diagrams.

4. Chemical bonding in polyatomic molecules, group orbitals, variational method, effective Hamilotnian.

5. Electronic excitations, photoelectron spectroscopy, vibrational states of molecules, IR a Raman spectroscopy.

6. Bonding in coordiantion compounds, reactivity, equilibrium and kinetic aspects, organometals.

7. Energetics and thermodynamic properties of inorganic substances

8. Homogenneous equilibria in gases and liquids, balance matrices, independent reactions, equilibrium constants

9. Water and aqueous solutions, standard state, infinite dilution. models for nonideal behavior

10.Acid-base and redox equilibria in aqueous solutions, construction of Pourbaix diagrams

11.Heterogenneous equilibria in inorganic systems, phase diagram types

12.Partly open systems, log(a)-T diagrams, Kellogg and Elingham diagrams

13.Colloid systems and nanomaterials, surface energy and tension, thermodynamic consequences.

14.F-elements. Trends in properties, electronic structure, chemical bonding.

Registration requirements -
Last update: Pátková Vlasta (10.01.2018)

General and inorganic chemistry II, Physical chemistry I and II,

Mathematics I and II, Physics I and II.

Course completion requirements -
Last update: Nekvindová Pavla doc. Ing. Ph.D. (17.02.2018)

Presentation of the individual project and completion of the written and oral part of the exam.

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0,2 6
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 0,8 21
Práce na individuálním projektu 1 28
Příprava na zkoušku a její absolvování 0,5 14
Účast na seminářích 0,5 14
4 / 4 111 / 112
Coursework assessment
Form Significance
Regular attendance 30
Defense of an individual project 40
Oral examination 30

 
VŠCHT Praha