Browsing by Author "Miller, Benjamin J."

Now showing items 1-4 of 4

  • Absolute Intensities of NH-Stretching Transitions in Dimethylamine and Pyrrole

    Miller, Benjamin J.; Du, Lin; Steel, Thomas J.; Paul, Allanah J.; Södergren, A. Helena; Lane, Joseph R.; Henry, Bryan R.; Kjaergaard, Henrik G. (American Chemical Society, 2012)
    Vibrational spectra of vapor-phase dimethylamine (DMA) and pyrrole have been recorded in the 1000 to 13000 cm–1 region using long path conventional spectroscopy techniques. We have focused on the absolute intensities of ...
  • Are bond critical points really critical for hydrogen bonding?

    Lane, Joseph R.; Contreras-García, Julia; Piquemal, Jean-Philip; Miller, Benjamin J.; Kjaergaard, Henrik G. (American Chemical Society, 2013)
    Atoms in Molecules (AIM) theory is routinely used to assess hydrogen bond formation; however its stringent criteria controversially exclude some systems that otherwise appear to exhibit weak hydrogen bonds. We show that a ...
  • Intramolecular OH∙∙∙π interactions in alkenols and alkynols

    Miller, Benjamin J.; Lane, Joseph R.; Kjaergaard, Henrik G. (Royal Society of Chemistry, 2011)
    The vibrational overtone spectra of propargyl alcohol (prop-2-yn-1-ol, PA), allyl alcohol (prop-2-en-1-ol, AA), propargyl carbinol (but-3-yn-1-ol, PC) and allyl carbinol (but-3-en-1-ol, AC) were recorded with intracavity ...
  • SH-Stretching vibrational Spectra of ethanethiol and tert-butylthiol

    Miller, Benjamin J.; Howard, Daryl L.; Lane, Joseph R.; Kjaergaard, Henrik G. (American Chemical Society, 2009)
    Vibrational spectra of vapor-phase ethanethiol and tert-butylthiol have been recorded in the 1000 to 12 000 cm−1 region. Both the gauche and trans conformers of ethanethiol are observed. The intensities of SH-stretching ...