Microwave spectrum and rotational isomerism in 1-d1 ethyl alcohol

Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K

“…This angle is 3.1 (2) ° larger for the gauche compared to the trans form. A similar difference of about 5 ° was observed in the molecular structure derived from the microwave spectrum of CHzCHDOH by Sasada et al (1971). This was attributed to the electronic repulsion between the hydroxyl hydrogen and the methylene hydrogens.…”

Quantum chemical analysis of the energetics of the anti and gauche conformers of ethanol

“…It has long been recognized that the ethanol molecule itself can exist in two stable rotameric forms, anti (or trans) and gauche, although in textbooks [2] and other venues [3] the molecule is almost always depicted in its paradigmatic anti form. Historically, because of instrumental and other experimental limitations, most early studies of ethanol focused almost exclusively on the anti conformer, although by the 1970s experimental studies confirmed the presence of the stable gauche form [4][5][6].…”

The ground state torsion–rotation spectrum of propargyl alcohol (HCCCH2OH)

“…The simple stable alcohols such as methyl, ethyl, n-propyl, isopropyl, and allyl are all known to exhibit large amplitude motions, which complicate or even dominate the rotational spectra. All the other small alcohols containing two or three carbons are known to exist in several different stable conformers due to the asymmetric internal rotation of the hydroxyl group [1][2][3][4][5]. Methyl, ethyl, isopropyl, syn-allyl, and most likely n-propyl alcohol all exhibit strong interactions between the internal motion and the overall rotation [3,[5][6][7].…”