0000000001319886
AUTHOR
Kenneth Wärnmark
Simultaneous non-invasive gas analysis in artificial photosynthesis reactions using rotational Raman spectroscopy
Optimising reactions in artificial photosynthesis research requires screening of many reaction and operation parameters, which is often resource-intense and time-consuming. In this paper, we demonstrate the use of a rotational Raman-based spectrometer for non-invasive quantification of several gases (H2, O2, N2, CO, CO2) with short analysis times (15 s), enabling high throughput screening. Furthermore, with this device, reaction progress can be monitored in situ, by real-time simultaneous quantification of multiple gases. We have applied this instrument and developed a method to study the O2 dependency of a prototypic light-driven hydrogen evolution reaction, showcasing the value of this ap…
Resolution and Determination of the Absolute Configuration of a Twisted Bis-Lactam Analogue of Tröger's Base: A Comparative Spectroscopic and Computational Study.
The first reported twisted bis-lactam, a racemic Tröger's base (TB) analogue (2), was resolved into its enantiomers on a chiral stationary phase HPLC column. The absolute configuration of (+)-2 was determined to be (R,R)-2 by comparing experimental and calculated vibrational circular dichroism (VCD) and electronic circular dichroism (ECD) spectra. The absolute configuration of (-)-2 was determined by comparing experimental and calculated electronic circular dichroism (ECD) spectra. The corresponding theoretical spectra were calculated using the lowest energy conformation of (R,R)-2 and (S,S)-2 at the B3LYP/6-31G(d,p) level of theory. The absolute configuration of (+)-2 was also determined t…
CCDC 1037524: Experimental Crystal Structure Determination
Related Article: Ögmundur Vidar Rúnarsson, Christian Benkhäuser, Niels Johan Christensen, Josep Artacho Ruiz, Erhad Ascic, Michael Harmata, Victor Snieckus, Kari Rissanen, Peter Fristrup, Arne Lützen, and Kenneth Wärnmark|2015|J.Org.Chem.|80|8142|doi:10.1021/acs.joc.5b01236