Vibrational circular dichroism absolute configuration

Stephens PJ, Pan JJ, Krohn K. Determination of the Absolute Configurations of Pharmacological Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism The New Cytotoxic Iridoid Piismatomerin. Journal of Organic Chemistry 2007 72(20) 7641-7649. [Pg.180]

Wang, F., Polavarapu, P. L., Schurig. V., and Schmidt, R. (2002) Absolute configuration and conformational analysis of a degradation product of the inhalation anesthetic sevoflurane a vibrational circular dichroism study. Chirality, 14, 618-624. [Pg.300]

Zhao, C., Polavarapu, P. L., Grosenick, H., and Schurig, V. (2000) Vibrational circular dichroism, absolute configuration and predominant conformations of volatile anesthetics enflurane. J. Mol. Struct. 550, 105-115. [Pg.300]

Absolute Configuration in Two Molecules with Chiral Axes by Vibrational Circular Dichroism A C2-symmetric Annelated Heptafhiophene and a D2-symmetric Dimer of 1,T-Binaphfhyl, J. Phys. Chem. A 2003, 107, 7692-7696. [Pg.579]

Stephens PJ, Devlin FJ, Pan J-J (2008) The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy. Chirality 20 643-663... [Pg.125]

Freedman TB, Cao X, Dukor RK, Nafie LA (2003) Absolute configuration determination of chiral molecules in the solution state using vibrational circular dichroism. Chirality 15 743-758... [Pg.125]

Furo T, Mori T, Origane Y, Wada T, Izumi H, Inoue Y (2006) Absolute configuration determination of donor-acceptor [2.2]paracyclophanes by comparison of theoretical and experimental vibrational circular dichroism spectra. Chirality 18 205-211... [Pg.125]

Keywords Absolute configuration and conformation determinations Density functional theory Induced solvent chirality Transient VCD measurements Vibrational circular dichroism... [Pg.189]

Yang GC, Ha T, Fan E et al (2010) Determination of the absolute configurations of synthetic daunorubicin analogues using vibrational circular dichroism spectroscopy and density functional theory. Chirality 22 734—743... [Pg.228]

Nafie LA (2008) Vibrational circular dichroism a new tool for the solution-state determination of the structure and absolute configuration of chiral natural product molecules. Nat Prod Commun 3451 —466... [Pg.229]

Devlin FJ, Stephens PJ, Besse P (2005) Are the absolute configurations of 2-(l-hydro-xyethyl)-chromen-4-one and its 6-bromo derivative determined by X-ray crystallography correct A vibrational circular dichroism study of their acetate derivatives. Tetrahedron Asymmetry 16 1557-1566... [Pg.229]

Nafie LA, Long F, Freedman TB et al (1998) The determination of enantiomeric purity and absolute configuration by vibrational circular dichroism spectroscopy. In de Haseth JA (ed) Fourier transform spectroscopy 11th International Conference, vol. 430, American Institute of Physics. Woodbury, New York, pp 432-434... [Pg.229]

Tarczay G, Magyarfalvi G, Vass E (2006) Towards the determination of the absolute configuration of complex molecular systems matrix isolation vibrational circular dichroism study of (R)-2-amino-l -propanol. Angew Chem Int Ed 45 1775-1777... [Pg.235]

Vibrational circular dichroism (VCD) has been used for the independent verification of the absolute configuration and the determination of the predominant conformations of chiral 3-(2-methylbutyl)thiophene <2002PCA5918>. [Pg.711]

Optical rotation (OR), optical rotatory dispersion (ORD), electronic circular dichroism (BCD), and vibrational circular dichroism (VCD) provide spectral information nniqne to enantiomers, allowing for the determination of absolute configuration. Recent theoretical developments in DFT, using time-dependent density fnnctional theory (TD-DFT), provide the means for computing OR, ORD, and Similar theoretical development with coupled-cluster theory,... [Pg.82]

Stephens, P. J. Pan, J. J. Krohn, K. Determination of the absolute configurations of pharmacological natural products via density functional theory calculations of vibrational circular dichroism the bew cytotoxic iridoidprismatomerin, / Org. Chem. 2007, 72, 7641-7649. [Pg.98]

A number of thiepane stereoisomers were reported by Cere and coworkers <05JOC664>. Detailed vibrational circular dichroism spectroscopic and ab initio DFT studies were then undertaken and the absolute configuration of 102 was assigned (shown for the (+) enantiomer) <05JOC664>. [Pg.412]

Aamouche A, Devlin FJ, Stephens PJ, Drabowicz J, Bujnicki B, Mikolajczyk M. Vibrational circular dichroism and absolute configuration of chiral sulfoxides tert-butyl methyl sulfoxide. Chemistry A European Journal 2000 6 4479 1486. [Pg.724]

Stephens PJ, Aamouche A, Devlin FJ, Superchi S, Donnoli MI, Rosini C. Determination of absolute configuration using vibrational circular dichroism spectroscopy 1-(2-methyl-naphthyl) methyl sulfoxide. J Org Chem 2001 66 3671-3677. [Pg.724]

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