Dieter Klapstein

Professor of Chemistry


Office: Physical Sciences Complex 3027
Laboratory: Physical Sciences Complex 3023

Course Websites: CHEM 120, CHEM 245, CHEM 325

email: dklapste@stfx.ca
Voice: 902 867-2469
FAX: 902 867-2414

B.Sc. 1974 University of Victoria
Ph.D.
1980 University of Victoria (He(I) Photoelectron Spectra of Some a,b Unsaturated Carbonyl Compounds)

POSTDOC:
University of Basel, Switzerland 1980/83 (Prof. John P. Maier, Emission Spectroscopy of Gas-Phase Ions)

SABBATICALS:
University of Waterloo 1992/93 (Prof. Peter F. Bernath, High Resolution Fourier Transform Infrared Spectroscopy)
University of Basel, Switzerland 2001 (Prof. Werner M. Nau, Gas Phase Azoalkane Photochemistry)
International University Bremen, Germany 2004 (Prof. Werner M. Nau, Host-Guest Interactions)

Jacobs University Bremen, Germany 2009 (Prof. Werner M. Nau, Cucurbituril Complexes)

 

RESEARCH INTERESTS:
Synthesis, gas-phase spectroscopic characterization (UV-vis, FT-IR, molecular photoelectron) and structural elucidation of unsaturated organic carbonyl compounds. Molecular modeling using molecular mechanics, semi-empirical and ab initio molecular orbital calculations.
More details on research interests are available.

 

RECENT PUBLICATIONS:

 

§  The Renner-Teller Effect Observed in the Ã2A1 and X̃2B1 Electronic States of H2S+

G. Duxbury, Ch. Jungen, A. Alijah, J.P. Maier, D. Klapstein

Molecular Physics (2014).

 

§  Generation, Spectroscopy, and Structure of Cyanoformyl Chloride and Cyanoformyl Bromide, XC(O)CN

T. Pasinszki, G. Vass, D. Klapstein, N.P.C. Westwood

Journal of Physical Chemistry A, 116, 3396-3403 (2012).

 

§  An Ab Initio Study of 5,6-Disubstituted 1,3-Cyclohexadienes

C.C. Pye, R.A. Poirier, D.J. Burnell, D. Klapstein

Journal of Molecular Structure: THEOCHEM, 909, 66-74 (2009).

 

§ An Investigation of the Electronic Structure of Some 3-Monosubstituted-2-methylpropenes Through Computational Chemistry and Photoelectron Spectroscopy

I.T.A. Schuquel, L.C. Ducati, R. Custodio, R. Rittner, D. Klapstein

Chemical Physics, 349, 263-268 (2008)

 

§ Quenching of n,p*-Excited States in the Gas Phase: Variations in Absolute Reactivity and Selectivity
D. Klapstein, U. Pischel, W.M. Nau
Journal of the American Chemical Society
, 124, 11349-57 (2002).

 

§ N,N’-Three-Electron Bond in the Radical Cation of Medium Ring Bicyclic Diamines
K.-J. Deng, S.-G. Han, D. Klapstein
Chinese Journal of Organic Chemistry
, 21, 618-621 (2001)

 

§ Correlation of Oxidation and Ionization Potentials for Azoalkanes
W. Nau, W. Adam, D. Klapstein, C. Sahin, H. Walter
Journal of Organic Chemistry, 62, 5128-32 (1997)

 

§ Electronic Excitation of the 1,2,3,5-Dithiadiazolyl Radical: A Spectroscopic and Theoretical Analysis
J. Campbell, D. Klapstein, P.F. Bernath, W.M. Davis, R.T. Oakley, J.D. Goddard
Inorganic Chemistry, 35, 4264-4266 (1996)

§ Phosphorescence and Transient Absorption of Azoalkane Triplet States
W. Adam, G. Fragale, D. Klapstein, W.M. Nau, J. Wirz
Journal of the American Chemical Society, 117, 12578-92 (1995)

§ Infrared Absorption and Emission Spectra of SiO
J.M. Campbell, D. Klapstein, M. Dulick, P.F. Bernath, L. Wallace
Astrophysical Journal, Supplement Series, 101, 237-254 (1995)

§ Vibrational Spectra and Conformational Behaviour of Carbonyl Isothiocyanates X-CO-NCS, X = F, Cl, Br, MeO, EtO, and Acetyl Isothiocyanate CH3-CO-NCS
N.L. Campbell, C.J. Gillis, D. Klapstein, W.M. Nau, W.J. Balfour and S.G. Foug_re
Spectrochimica Acta, Part A, 51A, 787-798 (1995)

§ Analysis of Low-J Perturbations in the B(000)2 (Sigma)u+ Electronic State of the CO2+ Molecular Ion
J.K.G. Watson, M. Vervloet, J. Rostas and D. Klapstein
Molecular Physics, 83, 211-233 (1994)

§ The Infrared and Raman Spectra of Carbonyl Diisocyanate
W. J. Balfour, S.G. Foug_re, D. Klapstein and W.M. Nau
Spectrochimica Acta, Part A, 50A, 1039-1046 (1994)

§ Variable Temperature Infrared Spectroscopy of Chlorocarbonyl Isocyanate Cl-CO-NCO and the Effect of Polarizable Substituents on the Conformations of Carbonyl Isocyanates and Isothiocyanates
D. Klapstein and W.M. Nau
Journal of Molecular Structure, 317, 59-67 (1994)

§ Spectroscopy of Acyl and Carbonyl Isocyanates
D. Klapstein and W.M. Nau
Spectrochimica Acta, Part A, 50A, 307-316 (1994)

§ Conformational Properties of Carbonyl Isocyanates - Stereoelectronic Effects Favouring the Cisoid Conformation
D. Klapstein and W.M. Nau
Journal of Molecular Structure, 299, 29-41 (1993)

§ Vibrational Spectra of Acetyl Isocyanate and Mono-, Di- and Trichloroacetyl Isocyanates
W. J. Balfour, S. G. Fougere, D. Klapstein and W. M. Nau
Journal of Molecular Structure, 299, 21-28 (1993)

§ The Infrared and Raman Spectra of Methoxycarbonyl and Thiomethoxycarbonyl Isocyanates
W.J. Balfour, S. G. Fougere, D. Klapstein and W. M. Nau
Canadian Journal of Chemistry, 71, 1627-31 (1993).

§ Infrared Emission Spectra of GaH and GaD
J.M. Campbell, M. Dulick, D. Klapstein, J. B. White and P. F. Bernath
Journal of Chemical Physics, 99, 8379-84 (1993)

§ Conformational and Electronic Interaction Studies of Alpha-Substituted Carbonyl Compounds. Part 10. Methyl Alpha-Hetero-Substituted Acetates
D. Klapstein, R. Rittner, E. L. Silva, P. R. Olivato, J.C.D. Lopes
Canadian Journal of Applied Spectroscopy, 37, 37-45 (1992)

§ The Photoelectron Spectrum of Cyanoformyl Fluoride
S. G. Fougere, D. Janvier, D. Klapstein, W. von Niessen
Journal of Molecular Structure, 265, 133-142 (1992)

§ The Infrared Spectrum of Cyanocarbonyl Fluoride
W. J. Balfour, S. G. Fougere, D. Klapstein
Spectrochimica Acta, 47A, 1127-1130 (1991)

§ The Photoelectron Spectra and Electronic Structure of 2-Carbonyl Furans
D. Klapstein, C. D. MacPherson, R. T. O'Brien
Canadian Journal of Chemistry, 68, 747-754 (1990)

§  

RECENT CONFERENCE PRESENTATIONS:

§  Spectroscopy and Structure of Cyanoformyl Chloride and Cyanoformyl Bromide XC(O)CN, X = Cl, Br

 T. Pasinszki, G. Vass, D. Klapstein*, N.P.C. Westwood

95th Canadian Society for Chemistry Conference, 26-30 May, 2012, Calgary, AB.

§ Gas Phase Reactivity of an n,p*-Excited Azoalkane With Heteroatom Quenchers
D. Klapstein*, U. Pischel, W.M. Nau
2002 Canadian Society for Chemistry Conference, Vancouver, June 2002

§ A Theoretical Study of Structural and Photoelectronic Properties of a Family of 2-Methallyl Derivatives
R. Custodio*, I.T.A. Schuquel, R. Rittner, D. Klapstein
XI Brazilian Symposium on Theoretical Chemistry, Caxambu, Brazil, November 2001

§ Electronic Structure and Properties of Diazopropyne and Its Diazirine Isomer
A. McAlduff, D. Klapstein*
2000 Canadian Society for Chemistry Conference, Calgary, May 2000

§ Electronic Structure of Diphenyl Ethers by Experiment and Theory
D. Klapstein*, M.J. Lukeman
5th World Congress of Theoretically Oriented Chemists, London, U.K., August 1999,
also presented at the 1999 Canadian Society for Chemistry Conference, Toronto, June 1999

§ Rotational Isomerism in Acetylenedicarbonyls
D. Klapstein, M.J. Lukeman*
1999 Canadian Society for Chemistry Conference, Toronto, June 1999,
also presented at the 1999 CIC-APICS Atlantic Student Chemistry Conference, Charlottetown, May 1999

§ Photoelectron Spectroscopy and Electronic Structure of 2-Furoyl Nitrile and 2-Thiophenoyl Nitrile
S.A. King, S.A. LeBlanc, D. Klapstein*
1998 Canadian Society for Chemistry Conference, Whistler, B.C., June 1998

§ Conformational Behaviour of 2-Furoyl Nitrile and 2-Thiophenoyl Nitrile
S.A. King, S.A. LeBlanc, A.E. Maher, D. Klapstein*
1998 Canadian Society for Chemistry Conference, Whistler, B.C., June 1998

§ An ab initio Study of cis-5,6-Disubstituted Cyclohexadienes
C.C. Pye*, R.A. Poirier, D.J. Burnell, D. Klapstein
3rd Canadian Computational Chemistry Conference, Edmonton, July 1997

§ Preparation of Cyanoformyl Chloride and Characterization by FT-IR and Molecular Photoelectron Spectroscopies
S.A. King, A.I. Wallbank, D. Klapstein*
1996 Canadian Society for Chemistry Conference, St. John's, June 1996

§ Photoelectron Spectroscopy of Carbonyl Isocyanates
W.M. Nau, D. Klapstein*
1996 Canadian Society for Chemistry Conference, St. John's, June 1996

§ Structure and Conformational Behavior of Nitrosoformaldehyde Studies by Molecular Orbital Calculations
S.A. King, D. Klapstein*
1995 Canadian Society for Chemistry Conference, Guelph, May 1995

§ A Conformational Analysis of Carbonyl Isothiocyanates by Gas-Phase FT-IR Spectroscopy
W.M. Nau, D. Klapstein*
40th Canadian Spectroscopy Conference, Halifax, August 1994

§ Fourier Transform Emission Spectroscopy of High-Temperature Molecules
B. White, J. Campbell, M. Dulick, D. Klapstein, P.F. Bernath*
9th International Conference on Fourier Transform Spectroscopy, Calgary, August 1993

§ Spectroscopy and Conformational Behavior of Acyl and Carbonyl Isocyanates, R-CO-NCO and X-CO-NCO
W.M. Nau, D. Klapstein*
1993 Canadian Society for Chemistry Conference, Sherbrooke, June 1993

§ The High Resolution Spectra of GaH, GaD, and SiO
J.M. Campbell*, D. Klapstein, P.F. Bernath
Ohio State University International Symposium on Molecular Spectroscopy, Columbus, June 1993

§ Infrared Spectroscopy and Rotational Isomerism of Acyl Isocyanates
D. Klapstein*, W. Nau
1992 Canadian Society for Chemistry Conference, Edmonton, June 1992

§ Infrared Spectroscopy of Acyl Isocyanates
D. Klapstein, W. Nau*
Annual Conference of the Atlantic Section of the Chemical Institute of Canada, Halifax, July 1991

§ A Spectroscopic Study of Cyanoformyl Fluoride
W.J. Balfour, S.G. Foug_re, D. Klapstein*
1991 Canadian Chemical Conference, Hamilton, June 1991

§ The Electronic Structure of 2-Carbonyl Thiophenes Studied by Photoelectron Spectroscopy
D. Klapstein
1990 Canadian Chemical Conference, Halifax, July 1990

§ Photoelectron Spectroscopy of 4-Substituted t-Butyl Benzenes and Diphenyl Propanes
D. Klapstein*, D.R. Arnold, M. Wolf
1990 Canadian Chemical Conference, Halifax, July 1990


- September, 2013 -