Investigation of the spectroscopic properties of newly synthesized pyrazolopyrimidines
A new series of pyrazolopyrimidines has recently been synthesized in the Zimmerman research group. Some of these compounds have hydroxyl groups which may allow for proton transfer to a carbonyl oxygen or nitrogen. In our research group, we will characterize spectroscopically the new compounds in various solvents as well as various pH in aqueous solution with the goal to understand excited-state proton transfer in these molecules. |
Investigation of Charge Transfer in Cross-Conjugated Compounds
Molecular electronics and solar energy devices such as molecular switches, non-linear optics and solar energy devices cannot be fully utilized until the fundamentals of the ways in which organic molecules transfer charge is understood making the study of intramolecular charge transfer across conjugated organic molecules important for their development. Recently, cross-conjugated molecules have been proposed for use as bridging molecules in donor-bridge-acceptor devices. In a cross-conjugated molecule, two unsaturated groups are conjugated to a third group but are not conjugated to each other. Until recently, cross-conjugated molecules were not considered good candidates for molecular electronics and solar energy devices due to their reduced electronic coupling as compared to linearly conjugated molecules. However, cross-conjugation has been shown to control charge transfer though many questions remain. Controlling charge transfer can allow for the rational design of molecular electronics and solar energy devices. In our research group, we aim to characterize spectroscopically cross-conjugated diphenylbutadiene and its donor-acceptor analogs using UV-Vis and emission techniques, and determine the rates of charge separation and recombination using time-resolved spectroscopic techniques.
Molecular electronics and solar energy devices such as molecular switches, non-linear optics and solar energy devices cannot be fully utilized until the fundamentals of the ways in which organic molecules transfer charge is understood making the study of intramolecular charge transfer across conjugated organic molecules important for their development. Recently, cross-conjugated molecules have been proposed for use as bridging molecules in donor-bridge-acceptor devices. In a cross-conjugated molecule, two unsaturated groups are conjugated to a third group but are not conjugated to each other. Until recently, cross-conjugated molecules were not considered good candidates for molecular electronics and solar energy devices due to their reduced electronic coupling as compared to linearly conjugated molecules. However, cross-conjugation has been shown to control charge transfer though many questions remain. Controlling charge transfer can allow for the rational design of molecular electronics and solar energy devices. In our research group, we aim to characterize spectroscopically cross-conjugated diphenylbutadiene and its donor-acceptor analogs using UV-Vis and emission techniques, and determine the rates of charge separation and recombination using time-resolved spectroscopic techniques.
Determination of enantiomeric excess of pharmaceutically relevant molecules in a complex matrix using spectral and multivariate analysis
The ability to determine enantiomeric purity is imperative for ensuring drug safety. Complexing a chiral molecule of pharmaceutical interest inside a β-cyclodextrin cavity creates interactions that are different for R- and S-enatiomers. The resulting absorption and emission spectra of the complex are often different, but only to a slight degree. Generation of a calibration set of varying concentrations of R- and S-enantiomers and performing chemometrics using partial-least-squares regression analysis (PLS) allows for determination of enantiomeric composition. In our research group, we undertake the task of determining enantiomeric composition in samples with considerable matrix effect using a host-guest complex and PLS.
The ability to determine enantiomeric purity is imperative for ensuring drug safety. Complexing a chiral molecule of pharmaceutical interest inside a β-cyclodextrin cavity creates interactions that are different for R- and S-enatiomers. The resulting absorption and emission spectra of the complex are often different, but only to a slight degree. Generation of a calibration set of varying concentrations of R- and S-enantiomers and performing chemometrics using partial-least-squares regression analysis (PLS) allows for determination of enantiomeric composition. In our research group, we undertake the task of determining enantiomeric composition in samples with considerable matrix effect using a host-guest complex and PLS.