IR Spectrum of the Ethyl Cation: Evidence for the Nonclassical Structure

Uncommon hydrogen bonds between a non-classical ethyl cation and π hydrocarbons: a preliminary study

“…However, a recent computational study carried out by Dopfer et al [52] has reported an analysis of the stretch frequencies and absorption intensities of the ethyl cation. Based on this, our analysis will aim not just to reproduce the vibrational modes of the ethyl cation, but also to describe the stretch frequencies and absorption intensities of the (H ?…”

Infrared Photodissociation Spectroscopy of C2n+1N− Anions with n = 1 – 5

“…Rotational band profiles are simulated using the rotational constant obtained from our calculations on C 3 N − ⋅D 2 ( = 2500.59 MHz, D 2 attached to the C-site) and assuming a change of the rotational constant in the excited vibrational state of 0.5% ( 2 mode) and 1% ( 1 mode) [43,44] as inputs for the PGopher software [45]. The spectra are convoluted using a Gaussian line shape function with FWHM of 4.5 cm −1 to account for the laser bandwidth (∼2.5 cm…”

Diastereo-specific conformational properties of neutral, protonated and radical cation forms of (1R,2S)-cis- and (1R,2R)-trans-amino-indanol by gas phase spectroscopy

“…For this purpose, the octopole is filled with N 2 up to 10 À5 mbar, resulting in collisions with B10 eV collision energy in the laboratory frame. Recent applications of this IRPD approach of tagged ions in the Berlin laboratory include hydrocarbon ions, [48][49][50][51][52][53][54][55][56][57] silicon-containing ions, [58][59][60] and biological molecules and their hydrates. [61][62][63][64][65][66] 2.3.2.…”