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.
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14 May 2012
Research Article|
May 10 2012
Identification of the dimethylamine-trimethylamine complex in the gas phase
Lin Du;
Lin Du
1Department of Chemistry,
University of Copenhagen
, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
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Joseph R. Lane;
Joseph R. Lane
2Department of Chemistry,
University of Waikato
, Private Bag 3105, Hamilton 3240, New Zealand
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Henrik G. Kjaergaard
Henrik G. Kjaergaard
a)
1Department of Chemistry,
University of Copenhagen
, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
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a)
Author to whom correspondence should be addressed. Electronic mail: hgk@chem.ku.dk. Tel.: 45-353-20334. Fax: 45-353-20322.
J. Chem. Phys. 136, 184305 (2012)
Article history
Received:
February 13 2012
Accepted:
April 11 2012
Citation
Lin Du, Joseph R. Lane, Henrik G. Kjaergaard; Identification of the dimethylamine-trimethylamine complex in the gas phase. J. Chem. Phys. 14 May 2012; 136 (18): 184305. https://doi.org/10.1063/1.4707707
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