Selected Publications on Electronic Circular Dichroism (ECD) and Vibrational Circular Dichroism (VCD)

ECD

138. G. V. Shustov, F. Sun, T. S. Sorensen, A. Rauk, Chiroptical Properties of the Ketene and Diazo Chromophores. I. Conformations and Optical Activity of 1-Alken-1-ones and 1-Diazoalkanes vs. Aldehydes. J. Org. Chem., 63, 661-669 (1998).

124.  G. V. Shustov, M. Parvez, and A. Rauk, Conformation and Circular Dichroism of Some N-Nitropyrrolidines,  J. Chem. Soc. Perkin 2, 1907-1914 (1996).

123. A. Rauk, D. Yang, G. V. Shustov, J. McCann, and H. Wieser, The Electronic and Vibrational Circular Dichroism of 3-, and 4-Methylazetidin-2-one , Applied Spectrosc., 50, 630 (1996).

122. G. V. Shustov and A. Rauk, 3-Merthylazetidin-2-one and Its Precursors: Optical Resolution and Absolute Configuration, Tetrahedron Asymmetry, 7, 699-708 (1996).

114. G. V. Shustov and A. Rauk, N-Nitrosubstituted Azetidines and Aziridines - the Inherently Non-planar Nitroamines: Conformational and Chiroptical Properties, J. Org. Chem. 60, 5891-5898 (1995) - NATO - reprints not ordered.

111. G. V. Shustov and A. Rauk, 2,5-Dimethyl-delta3-pyrroline: a Novel Optically Active C2-Symmetric Secondary Amine, Tetrahedron Let., 36, 5449-5452 (1995) - NATO

108. A. Rauk, I. F. Shishkov, L. V. Vilkov, K. F. Koehler, and R. G. Kostyanovsky, Structures and Chiroptical Properties of the Parent Nerve Gas - Methoxy Methylphosphonofluoridate - by Ab Initio Calculations, Electron Diffraction Analysis and NMR Spectroscopy, J. Am. Chem. Soc., 117, 7180 -7185 (1995). - NATO - reprints not ordered

106. A. Rauk, D. Yang, D. Tsankov, H. Wieser, Yu. Koltypin, A. Gedanken, and G. V. Shustov, Chiroptical Properties of 1-Azabicyclo[3.1.0]hexane in the Vacuum-UV and IR Regions, J. Am. Chem. Soc., 117, 4160-4166 (1995). - NATO - reprints not ordered

100. I. V. Vystorop, G. V. Shustov, A. Rauk, and R. G. Kostyanovsky, Abso lute configuration of 1,4-Dialkyl-2,5-dioxabicyclo[2.2.1]haptane-3,6-diones Enantiomers, Mendeleev Commun., 97-99 (1994) - NATO

98. A. Rauk and T. B. Freedman, Chiroptical Techniques and their Relationship to Biological Molecules, Big or Small. , Int. J. Quant. Chem., Quantum Chemistry Symposium 28 , 315-338 (1994).

94. G. V. Shustov, A. V. Kachanov, I. I. Chervin, R. G. Kostyanovsky, and A. Rauk, Stereochemistry and Chiroptical Properties of 1,3-Dialkylazi ridinones (a-Lactams). Chiral Rules for the non-planar Amide Chromophore, Can J. Chem., 72, 279-286 (1994). Reprints not ordered.

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VCD

139.  A. Rauk, J. L. McCann, H. Wieser, P. Bour, R. G. Kostyanovsky, Y. I. Elnatanov, and I. V. Vystorop, Skeletal Vibrational Circular Dichroism of a Series of Bicyclic Dilactones: The Fingerprint Region?, Can. J. Chem. submitted 97/09/24, ref reports 98/01/05 - accepted with minor revisions)

137. J. L. McCann, A. Rauk, and H. Wieser, A Conformational Study of (1S,2R,5S)-(+)-Menthol Using Vibrational Circular Dichroism Spectroscopy, Can. J. Chem. in press (accepted 97/11/30).

134. J. L. McCann, A. Rauk, and H. Wieser, Infrared absorption and vibrational circular dichroism spectra of poly(vinyl ether) containing diastereomeric menthols as pendants, J. Mol. Struct., 408, 417-420 (1997).

133. V. Maharaj, A. Rauk, J. H. van de Sande, and H. Wieser, Infrared absorption and vibrational circular dichroism spectra of selected deoxyoctanucleotides complexed with daunorubicin, J. Mol. Struct. 408, 315-318 (1997).

132. V. Maharaj, J. H. van de Sande, D. Tsankov,  A. Rauk, and H. Wieser, FT-IR and VCD spectra of Selected Octadeoxynucleotides , Mikrochim. Acta [Suppl.] 14, 529-530 (1997).

123. A. Rauk, D. Yang, G. V. Shustov, J. McCann, and H. Wieser, The Electronic and Vibrational Circular Dichroism of 3-, and 4-Methylazetidin-2-one , Applied Spectrosc., 50, 630-641 (1996).

112. D. Yang and A. Rauk, The A Priori Calculation of Vibrational Circular Dichroism, Rev. Comput. Chem. K. B. Lipkowitz and D. B. Boyd, Eds, VCH Publishers, Inc., New York, NY, Vol 7, pp 261-301 (1995)

107. J. A. Nieman, B. A. Keay, M. Kubicki, D. Yang, A. Rauk, D. Tsankov, and H. Wieser, Determining Absolute Configuration by Spectroscopic Means: the Vibrational Circular Dichroism Spectrum of (+)-1S,5S,6S- and (-)-1R,5R,6R-spiro[4.4]nonane-1,6-diol, J. Org. Chem. 60, 1918 - 1919 (1995).

106. A. Rauk, D. Yang, D. Tsankov, H. Wieser, Yu. Koltypin, A. Gedanken, and G. V. Shustov, Chiroptical Properties of 1-Azabicyclo[3.1.0]hexane in the Vacuum-UV and IR Regions, J. Am. Chem. Soc., 117, 4160-4166 (1995). - NATO - reprints not ordered

98. A. Rauk and T. B. Freedman, Chiroptical Techniques and their Relationship to Biological Molecules, Big or Small. , Int. J. Quant. Chem., Quantum Chemistry Symposium 28 , 315-338 (1994).

96. D. Yang and A. Rauk, Vibrational Circular Dichroism Intensities: Calculations by ab initio Second Order Moller-Plesset Vibronic Coupling Theory, J. Chem. Phys. 100, 7995-8002 (1994).-reprints not ordered.

91. A. Rauk, T. Eggimann, H. Wieser, G. V. Shustov, and D. Yang, The Vibrational Circular Dichroism Spectrum of 2-Methylaziridine: Dominance of the Absolute Configuration at Nitrogen. Can. J. Chem., 72, 506-513 (1994)

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