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Department of Chemistry
 Prof Peet H van Rooyen
 

Tel:  012 4202519
Emailphvr@up.ac.za
Office: NW1 3-38

Position: Professor
Academic qualifications: PhD 

Research interests: Structural chemistry – Computational Chemistry and Chemical Crystallography.

Publications over the past five years:


Journal articles:
Axial and equatorial carbene ligands of dimanganese and dirhenium monocarbene complexes: Synthesis, characterisation and structural studies. D.I. Bezuidenhout, D.C. Liles, P.H. van Rooyen and S. Lotz, J. Organometal. Chem., 2007, 692, 774-783.

Modelling and spectroscopic studies of bisphosphonate-bone interactions. The Raman, NMR and crystallographic investigations of Ca-HEDP complexes. I Cukrowski, L Popović, W Barnard, S O Paul, P H van Rooyen, D C Liles. Bone, 2007, 41, 668–678.

Substitution reactions of tetrahydrofuran in [Cr(thf)3Cl3] with mono and bidentate N-donor ligands: X-ray crystal structures of [Cr(bipy)(OH2)Cl3] and [HpyNH2][Cr(bipy)Cl4] N F Brennan, M J. Green, B Blom, M Landman, P H van Rooyen  D C Liles and S Lotz. Inorg. Chim. Acta, Inorganica Chimica Acta (2008), 361(11), 3042-3052

Bioactive Diterpenes and Other Constituents of Croton steenkampianus.                                         Adelekan, M Adeboye , Erwin A. Prozesky, Ahmed  A Hussein, Luis D. Urena, Petrus H van Rooyen, David C Liles, J. J. Marion Meyer, and Benjamin Rodriguez. J Nat Prod, 2008, 71,1919–1922.

The analysis of pH-dependent protonated conformers of 1-hydroxyethylidene-1,1-diphosphonic acid by means of FT-Raman spectroscopy, multivariate curve resolution and DFT modelling  W. Barnard, S. O. Paul, P. H. van Rooyen, and I. Cukrowski. 2009, Journal of Raman Spectroscopy, 2009, 40(12), 1935 – 1941.

Properties of homo- and heteronuclear mixed biscarbene complexes with conjugated bithiophene units. M Landman, J. Ramontja, M van Staden, D Bezuidenhout, P H  van Rooyen, D C Liles, S Lotz, Inorganica Chimica Acta (2010), 363(4), 705-717.

 

Conference proceedings:
Preferred conformer determination of 1-hydroxyethylidene-1,1-disphosphonic acid (HEDP) forms in solution by comparison of calculated and experimental Raman spectra. P H van Rooyen and W Barnard, National meeting of the Centre for High Performance Computing, Cape Town, 2007-12-02 to 2007-05.

Vibrational assignment of 6,6’-dihalogenoindigos by means of Guassian03 generated infrared and Raman spectra. P H van Rooyen and W Barnard, National meeting of the Centre for High Performance Computing, Cape Town, 2007-12-02 to 2007-05.


The multivariate nalysis and DFT study of various pH dependent protonated  HEDP conformers over the pH range 1.00 – 13.00. W Barnard, S O Paul, P H van Rooyen, and I Cukrowski. 2008 XXI International Conference on Raman Spectroscopy (ICORS) London, UK, 17 – 22 Aug 2008.

Transition metal N-heterocyclic carbene complexes. Marilé Landman, Werner Barnard and P H  van Rooyen, ICOMC, Rennes, Frankryk, 13 - 18 Julie 2008

Substitution reactions of tetrahydrofuran in [CrCl3(thf)3] with mono and bidentate N-donor ligands . Nicholas F Brennan,  Burgert Blom, Petrus H van Rooyen, Dave Liles  and Simon Lotz. Florence

The substitution of n and p bidentate ligands in [CrCl3(thf)3] to gain further insight into the study of ethylene tri‐ and tetramerisation reactions. 16th International Symposium on Homogeneous Catalysis, Florence Italy from 6th to 11th July 2008.

Formation and cleavage of dichromium(iii) compounds containing bridging chlorines with respect to ethylene tri‐ and tetramerisation. 16th International Symposium on Homogeneous Catalysis, Florence Italy from 6th to 11th July 2008.

Further studies of the Borate Fusion Method of Sample Preparation. Maggi Loubser, Peet H van Rooyen and Johan PR de Villiers 2008 Denver

Further studies of the Borate Fusion Method of Sample Preparation: The applications Maggi Loubser, Peet H van Rooyen and Johan PR de Villiers, Denver 2008

Molecular complexes of 4,4'-Dinitrobiphenyl. P H van Rooyen, D C  Liles and E Modau.The XXI Congress and General Assembly of the International Union of Crystallography (IUCr 2008) in Osaka, Japan 22 - 31 August 2008

Molecular complexes of 4,4'-Dinitrobiphenyl. P H van Rooyen, D C  Liles and E Modau 39th National Convention of the South African Chemical Institute. Stellenbosch. SA, November 30 to December 5, 2008. (Abstract 634)

Coordination of transition metals to NHC’s precursors. M Landman, W Barnard and P H van Rooyen. 39th National Convention of the South African Chemical Institute. Stellenbosch. SA, November 30 to December 5, 2008. (Abstract 676)

The substitution of N and P bidentate ligands in [CrCl3(THF)3] P H. van Rooyen, N F. Brennan,  S Lotz, D C. Liles. XVIII EuCheMS Conference on Organometallic Chemistry, 22-25 June 2009 in Göteborg, Sweden

Molecular interactions in complexes of 4,4'-Dinitrobiphenyl. P H  van Rooyen, D C Liles, E  Modau. European Crystallographic Meeting, Turkey,  16 August 2009 to 21 August 2009.

The substitution of N and P bidentate ligands in [CrCl3(THF)3] P H. van Rooyen, N F. Brennan,  S Lotz, D C. Liles. Indaba VI. 30 Augustus 2009 to September 2009.

Structural study of molecular interactions in complexes of 4,4'-Dinitrobiphenyl. P H  van Rooyen, D C Liles, E  Modau. 26th European Crystallographic Meeting (ECM26), August 30th to September 2nd, 2010, Darmstadt, Germany.

Ligand substitution in  [CrCl3(THF)3] P H. van Rooyen, N F. Brennan, D C. Liles. Manchester First EuCheMS Inorganic Chemistry Conference, 11 to 14 April 2011


Structural aspects of the substitution of N and P bidentate ligands in [CrCl3(THF)3] P H. van Rooyen, N F. Brennan,  S Lotz, D C. Liles. XIX EuCOMC EuCheMS Conference on Organometallic Chemistry,   03 to 07 July 2011, Toulouse, France.