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Section Nom Description
Fichier Complete course description

Course Outline

·       Course Details

Course Title

Chemical Applications of Group Theory

Course Number

423522

Academic Year

2021-2022

Term

Summer Course

Prerequisite(s)

Departmental Approval

Course Type: Compulsory / Elective… etc.

Compulsory

Credit Hours

3

 

·       Instructor Information

Instructor Name

Hikmat S. Hilal

Office

14F1310

Email Address

hshilal@najah.edu

Mobile& Whatsapp: 00972599273460

 

·       Class Details

Days

Sunday + Tuesday

Time

2-5

Class Room

141050

 

·       Course Description and Objectives

The course starts with terminology and definitions of molecular symmetry operations, matrix representation, point groups, reducible and irreducible representations, character tables and reduction equation. Applications of group theory to different aspects of chemistry, specially bonding, structure and spectroscopy, are rigorously included. 

 

The course helps the student understand basics of group theory and its applications to different aspects of chemistry. Bonding theory, metal clusters, vibrational spectroscopy, absorption spectroscopy and organic reactions are rigorously involved.

 

·       Intended Learning Outcome (ILO’s)

 

Upon completing this course, the students are expected to able to:

1)     Implement details of molecular symmetry including symmetry elements, operations and symmetry point groups to different chemical compound structures

2)     Use necessary mathematical basic information in group theoretical applications, including matrices, reduction formula, reducible and irreducible representations

3)     Apply group theory in valence bond theory treatment of structure and bonding

4)     Apply group theory in molecular orbital theory treatment of bonding and structure

5)     Apply group theory in studying vibrational spectra of different inorganic compounds.

6)     Use Group Theory in metal-metal cluster compounds (metal carbonyls and quadrupole bonds)

7)     Apply group theory to predict concerted organic reactions.

 

 

 

 

 

 

·       Textbook(s) and References

1)     Hikmat S. Hilal & Abdel-Hafez Sayda, A Short Course on Group Theory and Chemical Applications, Novascience Publ., 2011.

2)     A. Vincent, Molecular Symmetry and Group Theory, 2nd ed, (2000), J. Wiley.

3)     F.A. Cotton, Chemical Applications of Group Theory, 3rd ed, (1990), J. Wiley; ANU   Library Code   541.22015122 COT

4)     J. Barrett, Introduction to Atomic Molecular Structure, J. Wiley

5)     I. Fleming, Frontier Orbitals and Organic Chemical Reactions, J. Wiley

6)     G.B. Gill & M. R. Willis, Pericyclic Reactions, Chapman

7)     B. Douglas, D. H. McDaniel, J. J. Alexander, Models and Concepts of Inorganic Chemistry, 3rd ed., (1994), J. Wiley & Sons,

8)     R. L. Carter, Molecular Symmetry and Group Theory, (1997), J. Wiley & Sons, ISBN-10: 0471149551.

9)     FA Cotton and G Wilkinson, Advanced Inorganic Chemistry, J. Wiley.

10)  F.A. Cotton, Chemical Applications of Group Theory, 3rd ed, (1990), J. Wiley; ANU   Library Code   541.22015122 COT

11)  Library search and primary sources.

 

 

·       Topics Covered / Weekly Lecture Schedule

Week

Topics

1

Symmetry operations

2

Symmetry point groups

3

4

Representations, Character Tables, Reduction Formulas, and classes

 

 

Application in Valence Bond theory (VBT) & hybrid orbitals, and Molecular Orbital Theory

1st Test

 

5

Applications in Vibrational Spectra (IR and Raman Spectra)

6

Applications in Molecular Orbital Theory: Diatomics, triatomics (Walsh Diagrams), and complexes,

7

8

9

10

Applications in organic cyclic systems, Huckel’s aromaticity, conjugated systems

2nd Test

11

12

13

Metal atom clusters (metal carbonyls and noncarbonyls)

14

Applications in concerted organic reactions

15

16

Final Exam

 

·       Assessment Measures and Methods of Evaluation

Midterm 30%

Activities 20%

Final Exam 50%

 

 

·       Important Dates

 

 

 

HSH                                                                                        Updated: June 2nd, 2022
Section 1 Fichier Text Book Preface

Genral Introduction describing the text book
Fichier A short course on group theory and chimical application

To Students Independent Reading
Section 2 Fichier Symmetry Operations & Symmetry Elements

This section introduces the student to symmetry operations and symmetry point groups

Upon completing this section the student will be able:

- Find out if a sytem contains symmetry

- differentiate between symmetry elements and symmetry operations

- classify all 5 types of symmetry operations

- find out all symmetry operations in a given system/molecule/ion

- combine syppemrty operations together

-use matrix presentation of a given symmetry operation performed onto a given point (x,y,z). 
Fichier Lecture Notes on Symmetry Operations and Symmetry Elelemsnt

Dear student

This material shows you the headlines of the lectrures related to symmetry operations and symmetry elements. Please know that the material contianed in these notes is not sufficienct. You must consult other materials shown elsewhere. 
Section 3 Fichier Symmetry Point Groups

Dear valued student

 This section will deal with Molecular Symmetry and Symmetry Point Groups

Upon completing this section, you will be able to:

- Define and check symmetry point groups

- find if a given set of group operations can form a group

- represent operation combinations with matrices

- use systematic approach logic (algorithm) to find out point group for a given system

- visit electronic resources dealing with symmetry point groups 
URL Some more information

Dear student

Please visit the webpage shown here and other many sites available

http://www.reciprocalnet.org/edumodules/symmetry/pointgroups/examples.html
Fichier Lecture Notes on Symmetry Point Grous

Dear student

Please refer to the power point lecture notes. They summarize the lectures given by prof. Hilal.
Fichier Symmetry Group Lecture Notes

Symmetry Group Lecture Notes
Section 5 Fichier Application in Valence Bond theory (VBT) & Hybrid Orbitals

Dear student

Now, it is time for you to start knowing where you exactly stand as a chemist in this course. You will find out how relevant group theory to modern chemist is. You will start with a very simple application (something you are familiar with from earlier chemistry courses).

This section will introduce the student to Group Theoretical applications to bonding theories. Upon completing this section, you will be able to:

- build up hybrid orbitals of central metal atoms in different molecules using group theory

- select correct types of hybrid orbitals for a given molecule, depending on position of the specified atom in the periodic table.
URL Cr(C6H6)(CO)3

Cr(C6H6)(CO)3
Section 6 Fichier Application to Vibrational Spectroscopy

Dear student

Now you will see more about how group theory is useful in understanding chemistry. Now you

gain familiarity with application of Group theory to Vibrational Spectroscopy (IR and Raman Scattering Spectroscopy). Upon completing this section, you will be able to:

- use basics of chemistry to expect IR and Raman spectra for a given molecule

- Build up reducible representations for molecular vibrations

- use selction rule for IR and for RRS to expect vibrational spectra

- Use group theory to assing active molecular vibrations in IR

- Use group theory to assign active molecular vibrations in Raman Spcattering Spectra (RRS)

- Expect if IR and RRS spectra for a given molecule will coincide together. 
Section 7 Fichier Molecular orbital Theory Treatment of Diatomic Molecules

This topic deals with MOT treatment for diatomic molecules.  The material includes scanned lecture notes, based on earlier references 4+7+8 .

Upon completing this section you will be expected to:

- Use use MOT to describe bonding and structure in simple diatomic molecules

- Use group theory to explain MOT description.
Section 8 Fichier Triatomic Systems

Triatomic Systems. This topic is devoted to treat triatomic molecular systems linear and bent. Walsh approach is heavily used here.

Upon completing this section, you will be able to:

- compare between VBT and MOT approaches to understand AH2 and AX2 molecules

- Use the Welsh approach to describe bonding and structure in traitomic molecules  
Section 9 Fichier AB3 Molecular Systems

To the student:

This section is focused on applying MOT to AB3 systems. Projection operator method is heavily used in this  section. Lecture notes based on earlier references are supplied in this section. Upon completing this section you will be able to:

- use Projection Operator mthod in finding LGOs

- make judgements on localized vs. delocalized bonding models

- see how MOT can explain spectra of AB3 systems

- use MOT to explain bonding and structure in AB3 systems with and without Pi bonding
Section 10 Fichier Huckel's Aromaticity

To the student:

This section is devoted to treat aromatic molecules using Huckel's approximations through the secular determinant. After completing this section, you will be able to:

- use  MOT to solve out problems ranging from diatomic to C7 conjugated systems

- use Huckel's approach to calculate energy levels of Pi-bonding orbital in open/closed systems

- Use the secular determinant and secular equations

- Explain Huckel's stability in a quantitative manner 
Section 11 Fichier Metal atomic clusters (Non-carbonyls)

This section shows how MOT treats metal-metal atom bonding in M2Xn systems. Attention is paid to triple and quadruple bonding systems. Cotton and Wikinson's book, Adanced Inorganic Chemistry is a main reference for this section
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