Du, L., Lane, J.R., Kjaergaard, H.G. (2012). Identification of the dimethylamine-trimethylamine complex in the gas phase. The Journal of Chemical Phycics, 136(18), 184305.
Permanent Research Commons link: http://hdl.handle.net/10289/6530
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.
American Institute of Physics
This article has been published in the journal: The Journal of Chemical Phycics. © 2012 American Institute of Physics.