CENTER FOR APPLIED
SPECTROSCOPY

 

INTERNATIONAL SUMMER SCHOOLS 2004

 

Summer School of Applied Vibrational Spectroscopy and X-Ray Analysis

 

Institute of Organic Chemistry - BAS

 

13 – 18 September 2004

 

Jointly organized by

 

Institute of Organic Chemistry - BAS

and University of Dortmund (INFU), Dortmund, FRG
 


INFU

Sponsored by DAAD
Stability Pact for South Eastern Europe

 

 

Objective of the Summer school

The objective of the Summer school within the Center for Applied Vibrational Spectroscopy is to give advanced students in chemistry practical instructions to perform IR spectral analysis according to the current state of art. We will focus on substances of practical interest. During the workshop students will get a training in synthesis of some functional dyes, IR-sample preparation, sample measuring and quantum-chemical calculations of vibrational modes of the compound synthesized. In addition, lectures will be given to cover some of the most important theoretical aspects of vibrational spectroscopy. Participants will get basic knowledge on X-Ray analysis substances in interest.

Organizing Committee

Academician Ivan Juhnovski, president of BAS – Honor Chairman

- IOCH-BAS, Sofia

Tsonko Kolev

- IOCH-BAS, Sofia

Bojidar Jordanov

- IOCH-BAS, Sofia

Bojidar Chorbanov

- IOCH-BAS, Sofia

George Andreev

- University of Plovdiv, Bulgaria

Michael Spiteller

- University of Dortmund, FRG

Main contact address

Tsonko Kolev

Institute of Organic Chemistry – Bulgarian Academy of Sciences

“Acad. G. Bonchev” Str., build. 9

1113 Sofia, Bulgaria
Tel.:      3
59 2 9606 106
Fax:     
359 2 8700 225
E-mail
kolev@srv.orgchm.bas.bg

 

Program for Summer School of Applied Vibrational Spectroscopy and X-Ray Analysis


Sunday, 12 September

–

Arrival, Check in

–

Registration of the participants

19:00 –

Informal get together


Monday, 13 September

08:15 –

Breakfast

09:00 –

INTRODUCTION THEORY I
I. Energy and electromagnetic spectrum –
Tsonko Kolev
1. Units
2. The electromagnetic spectrum
3. Absorption of electromagnetic radiation by organic molecules

10:00 –

I. Energy and electromagnetic spectrum – Bojidar Jordanov
1. Spectroscopy and computers
2. Fourier Transforms-Frequency and Time

 

break

11:00 –

II. Infrared Spectroscopy – George Andreev
1. Units of frequency, wavelength and wavenumber
2. Molecular vibrations
    · calculation of molecular frequencies
    · modes of vibration
    · quantum restrictions

12:05 –

Lunch

13:00 –

Synthesis of  2-{3-[2-(3-ethoxy-4-methoxy-phenyl)-vinyl]-5,5-dimethyl-cyclohex-2-enylidene}-malononitrile  - a new functional dye
1. Synthesis
2. Work up
3. Recrystallization

 

break

14:00 –

Synthesis of 4-benzoylpyridinium betaine of squaric acid – a new functional dye
1. Synthesis
2. Work up
3. Recrystallization

 

break

15:00 –

Synthesis of 4-dimethylaminopyridinium betaine of squaric acid – a new functional dye
1. Synthesis
2. Work up
3. Recrystallization


Tuesday, 14 September

08:15 –

Breakfast

09:00 –

THEORY II
III. Factors influencing vibrational frequencies
– Tsonko Kolev
1. Vibrational coupling
2. Hydrogen bonding
3. Electronic effects
4. Sterical hindrances
5. Field effects

 

Break

10:00 –

VI. Raman Spectroscopy – George Andreev
1. The Raman effect
2. Laser-Raman Spectroscopy

 

Break

11:00 –

VI. Raman Spectroscopy – Bojidar Jordanov
3. Combined use of IR and Raman Spectra
4. Vibrational assignement of the bands to the normal modes

12:05 –

Lunch

13:00 –

Sample preparing
1. Solids
    · KBr, CsI and polyethylene pellets

 

Break

14:00 –

Sample preparing
2. Solutions – solvents
    · Tetrachloromethane
    · Chloroform
    · Acetonitrile
    · Carbondisulphide

 

Break

15:00 –

Interpretation of IR Spectra


Wednesday, 15 September

08:15 –

Breakfast

09:00 –

V. Application of IR Spectroscopy – Identification of functional groups – George Andreev
1. Hydrocarbons
    · Aromatic hydrocarbons
    · Alkanes and cycloalkanes
    · Alkenes and alkynes

 

Break

10:00 –

V. Application of IR Spectroscopy – Identification of functional groups – Bojidar Jordanov
2. Hydroxy Compounds and Ethers
    · Alcohols
    · Phenols
    · Ethers

 

Break

11:00 –

V. Application of IR Spectroscopy – Identification of functional groups – Tsonko Kolev
3. Carbonyl Compounds
    · Aldehydes
    · Ketones

12:05 –

Lunch

13:00 –

Interpretation of the Spectra of Hydrocarbons

 

Break

14:00 –

Interpretation of the Spectra of Hydroxy derivatives

 

Break

15:00 –

Interpretation of the Spectra of Carbonyl Compounds


Thursday, 16 September

08:15 –

Breakfast

09:00 –

V. Application of IR Spectroscopy – Identification of functional groups – Tsonko Kolev
4. Carboxylic Acids and their derivatives

 

Break

10:00 –

V. Application of IR Spectroscopy – Identification of functional groups – George Andreev
5. Nitrogen compounds
    · Amines
    · Nitro Compounds
    · Nitriles
    · Isonitriles

 

Break

11:00 –

V. Application of IR Spectroscopy – Identification of functional groups – Bojidar Jordanov
6. Halogen, Sulphur and Phosphorus Compounds

12:05 –

Lunch

13:00 –

Interpretation of the Spectra of Carboxylic acids and their derivatives

 

Break

14:00 –

Interpretation of the Spectra of Nitrogen Compounds

 

Break

15:00 –

Interpretation of the Spectra of Halogen, Sulphur and Phosphorus Compounds

 

Break

16:00 –

Writing the reports and preparing presentations


Friday, 17 September

08:15 –

Breakfast

09:00 –

VI. Introduction to Crystal Structure Analysis – W.S. Sheldrick – University of  Bochum
· How can we “see” atoms?
· Diffraction of light
· Diffraction of X-Rays by Crystals
· Use of the X-Ray Diffraction to find atomic Arrangement

 

Break

10:00 –

VII. Crystals – Tsonko Kolev
· Visualizing the internal regularity of crystals
· The unit cell
· The process of crystal growth

 

Break

11:00 –

VIII. Diffraction by crystals – W.S. Sheldrick – University of Bochum
· Obtaining a magnified image: the microscope
· Light and X-Ray as wave motions
· Diffraction of X-Rays by atoms in crystals

12:05 –

Lunch

13:00 –

Physical properties of crystals
1. Mechanical properties of crystals
2. Optical properties
3. Electrical and magnetic effects in crystals

 

Break

14:00 –

Atomic and molecular displacements
1. Vibration effects in crystals
2. Representations of displacement parameters
3. IR Spectra and molecular structure

 

Break

15:00 –

4. Combined use of X-Ray, IR and Raman data to obtain perfect crystal and molecular structure

 

Break

16:00 –

Presentation of reports (3 groups) and final discussion


Saturday, 18 September

09:00 –

EXCURSION
Rila Monastery

14:00 –

Lunch

16:00 –

Return from Rila Monastery


Sunday, 19 September

12:00 –

Leaving the hotel

 

[Return to Cover Page]