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dc.contributor.authorDu, Lin
dc.contributor.authorLane, Joseph R.
dc.contributor.authorKjaergaard, Henrik G.
dc.date.accessioned2012-07-16T23:42:34Z
dc.date.available2012-07-16T23:42:34Z
dc.date.copyright2012
dc.date.issued2012
dc.identifier.citationDu, 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.en_NZ
dc.identifier.urihttps://hdl.handle.net/10289/6530
dc.description.abstractWe 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.en_NZ
dc.format.mimetypeapplication/pdf
dc.language.isoen
dc.publisherAmerican Institute of Physicsen_NZ
dc.relation.ispartofThe Journal of Chemical Physics
dc.relation.urihttp://jcp.aip.org/resource/1/jcpsa6/v136/i18/p184305_s1en_NZ
dc.rightsThis article has been published in the journal: The Journal of Chemical Phycics. © 2012 American Institute of Physics.en_NZ
dc.subjectchemistryen_NZ
dc.titleIdentification of the dimethylamine-trimethylamine complex in the gas phaseen_NZ
dc.typeJournal Articleen_NZ
dc.identifier.doi10.1063/1.4707707en_NZ
dc.relation.isPartOfThe Journal of Chemical Physicsen_NZ
pubs.begin-page1en_NZ
pubs.elements-id37676
pubs.end-page8en_NZ
pubs.issue18en_NZ
pubs.volume136en_NZ


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