Prof Sylvia Paul

	Professor Physical Chemistry
	Tel	012 429 8010
	Fax	012 429 8549
	E-mail	paulso@unisa.ac.za
	Campus	Muckleneuk Campus
	Building	Theo van Wijk
	Office	Chemistry Labs G-03

Qualifications:

• BSc Hons (U. Natal)
• MSc (U. Natal)
• MPhil (U. Southampton)
• PhD (WITS) 

Courses:

• CHE312X - Physical Chemistry III
• CHE4802 - Advanced Physical Chemistry (Hons) 
• CHE445E - Quantum Chemistry (Hons)
• CHE448H - Chemical Analysis (Hons)

Fields of interest:

• Spectroscopy and related theoretical studies
• Chemometrics

Research:

Infrared and Raman spectroscopies are used to establish the structure, properties, and reactivity of molecules in their liquid or solid state; the determinations are complemented with molecular orbital computations and any other appropriate method of measurement. Properties of mixtures, interactions between components of the mixture, and phase changes are determined, where use is made of experimental design and multivariate data analysis of the measurements. 

Selected Publications:

'The analysis of pH-dependent protonated conformers of 1-hydroxyethylidine-1,1-diphosphonic acid by means of FT-Raman spectroscopy, multivariate curve resolution and DFT modelling.'
W Barnard, SO Paul, PH van Rooyen, I Cukrowski; Journal of Raman Spectroscopy, 2009, 40, 1935

'Modelling and spectroscopic studies of biphosphonate-bone interactions. The Raman, NMR and crystallographic studies of certain Ca-HEDP complexes.'
Ignacy Cukrowski, Ljiljana Popovic, Werner Barnard, Sylvia O. Paul, Petrus H van Rooyen, David C Liles; Bone, 2007, 41, 668

'An ab initio study of the molecular structures of 1,4,5,8-napthalenetetrone and 5,8-dihydroxy-1,4-naphthoquinone.'
C.J.H Schutte, S.O. Paul, R. Smit; Journal of Molecular Structure, 1993, 297, 235