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We have identified the dimethylamine-trimethylamine complex (DMA-TMA) at room temperature in the gas phase. The Fourier transform infrared (FTIR) spectrum of DMA-TMA in the NH-stretching fundamental region was obtained by spectral subtraction of spectra of each monomer. Explicitly correlated coupled cluster calculations were used to determine the minimum energy structure and interaction energy of DMA-TMA. Frequencies and intensities of NH-stretching transitions were also calculated at this level of theory with an anharmonic oscillator local mode model. The fundamental NH-stretching intensity in DMA-TMA is calculated to be approximately 700 times larger than that of the DMA monomer. The measured and calculated intensity is used to determine a room temperature equilibrium constant of DMA-TMA of 1.7 × 10⁻³ atm⁻¹ at 298 K.
The ability to convert feedstock chemicals into synthetically useful derivatives is a major goal in the search for more sustainable and efficient chemical processes. One limitation in the field is the inability of known catalysts to oxidize C-H bonds regioselectively. Traditional synthetic approaches require extreme temperatures and pressures to break the C-H bond; in addition to the high energy cost of these processes, each reaction yields multiple products and over-oxidation is a common problem. In contrast to these harsh reaction conditions, enzymes catalyze C-H oxidations at ambient temperature and pressure with excellent selectivity. More recently, transition metal catalysts have been developed that can oxidize C-H bonds under more mild conditions, but a key difference between enzymes and most synthetic catalysts is that while syn...
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2004.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
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