BrightSpec

A Molecular rotational resonance (MRR) spectrometer, which operates in the 18-26GHz, has been evaluated for monitoring the oxidation process of SO 2 and O 2 in the presence of NH 4 VO 3 . This work is performed as a part of effort to determine the utility of rotational spectroscopy as a tool for monitoring the conversion of SO 2 to H 2 SO 4 . The initial MRR measurements revealed the reduction of SO 2 and the presence of small polar impurities (i.e., water vapor and ammonia). The current data have been further employed to validate K-Band MRR for SO 2 removal. The MRR maintains its linearity confirming its strength to monitor the removal of SO 2 in presence of other polar impurities. Work to improve this analytical procedure is underway and will be reported in this talk.

Abstract We designed and demonstrated the unique abilities of the first gas chromatography–molecular rotational resonance spectrometer (GC‐MRR). While broadly and routinely applicable, its capabilities can exceed those of high‐resolution MS and NMR spectroscopy in terms of selectivity, resolution, and compound identification. A series of 24 isotopologues and isotopomers of five organic compounds are separated, identified, and quantified in a single run. Natural isotopic abundances of mixtures of compounds containing chlorine, bromine, and sulfur heteroatoms are easily determined. MRR detection provides the added high specificity for these selective gas‐phase separations. GC‐MRR is shown to be ideal for compound‐specific isotope analysis (CSIA). Different bacterial cultures and groundwater were shown to have contrasting isotopic selectivities for common organic compounds. The ease of such GC‐MRR measurements may initiate a new era in biosynthetic/degradation and geochemical isotopic compound studies.

We designed and demonstrated the unique abilities of the first gas chromatography-molecular rotational resonance spectrometer (GC-MRR). While broadly and routinely applicable, its capabilities can exceed those of high-resolution MS and NMR spectroscopy in terms of selectivity, resolution, and compound identification. A series of 24 isotopologues and isotopomers of five organic compounds are separated, identified, and quantified in a single run. Natural isotopic abundances of mixtures of compounds containing chlorine, bromine, and sulfur heteroatoms are easily determined. MRR detection provides the added high specificity for these selective gas-phase separations. GC-MRR is shown to be ideal for compound-specific isotope analysis (CSIA). Different bacterial cultures and groundwater were shown to have contrasting isotopic selectivities for common organic compounds. The ease of such GC-MRR measurements may initiate a new era in biosynthetic/degradation and geochemical isotopic compound studies.

This paper reports our efforts to determine whether rotational spectroscopy is a useful tool for petroleum analysis. These efforts include the use of a BrightSpec molecular rotational resonance (MRR) spectrometer, which operates in the 260-290 GHz frequency range, to record rotational spectra of small polar contaminants in commercial gasoline. The observed rotational spectra showed rich, but assignable, patterns due to the sensitivity of the MRR to only small polar compounds. Any interference from a complex hydrocarbon matrix, which in conventional chromatographic methods obscures signals from small polar contaminants, is nearly eliminated. In addition to the evident rotational spectrum of ethanol, the spectra of toluene, ethyl cyanide, and acetaldehyde have also been detected. A quantitative method for ethanol has been developed and demonstrated in this paper, whereas the specific analyses of the other polar impurities will be reported in the future. The validity of MRR to be used as an analytical instrument has been examined by constructing a standard linear curve using dilutions of ethanol in water. The linearity and percentage recovery parameters are satisfactory.

Advances in chemical sensitivity and robust, solid-state designs for microwave/millimeter-wave instrumentation compel the expansion of molecular rotational spectroscopy as research tool into applied science. It is familiar to consider molecular rotational spectroscopy for air analysis. Those techniques for molecular rotational spectroscopy are included in our presentation of a more broad application space for materials analysis using Fourier Transform Molecular Rotational Resonance (FT-MRR) spectrometers. There are potentially transformative advantages for direct gas analysis of complex mixtures, determination of unknown evolved gases with parts per trillion detection limits in solid materials, and unambiguous chiral determination. The introduction of FT-MRR as an alternative detection principle for analytical chemistry has created a ripe research space for the development of new analytical methods and sampling equipment to fully enable FT-MRR. We present the current state of purpose-built FT-MRR instrumentation and the latest application measurements that make use of new sampling methods.