Conformation and bonding of 2-methoxypyridine and its monohydrate from rotational spectra

Stepwise hydrations of anhydride tuned by hydrogen bonds: rotational study on maleic anhydride-(H2O)1–3

“…[9][10][11] When the aromatics contain heteroatoms or functional groups, water switches to the edgeways bind them with an in-plane configuration. [11][12][13][14] As the number of water molecules grows, complicated competition between in-plane and above-plane configurations of water molecules might emerge. 14 Besides, charge distributions and structural changes can be observed to be prominent dependent on stepwise complexation with H 2 O.…”

Microwave Spectrum of Two‐Top Molecule: 2‐Acetyl‐3‐Methylthiophene

“…Each vibrational level is three-fold degenerated, and therefore, no torsional splitting is observed in the spectrum. [4] The molecule can be considered as a rigid rotor, with thousands of examples previously studied using high resolution rotational spectroscopy, stretching several important subjects from fundamental interest, [5][6][7] structure determination, [8][9][10] astrophysics, [11][12][13] biomolecules, [14][15][16] chirality [17][18][19] to microsolvation [20][21][22] and complexes. [23,24] A barrier of zero, on the other hand, describes a free internal rotor where all energy levels except the first one are two-fold degenerated, as shown, e. g., for the methyl group in CH 3 À C�CÀ CF 3 .…”

Rotational Spectra of 2-Ethynylpyridine and Its Monohydrate: Influence of the Ortho-Substitution on Ring Geometry and Intermolecular Hydrogen Bonds

“…To visualize the impact of ortho -substitution of PY on the intermolecular interactions, QTAIM analyses of monohydrates of PY, 2-fluoropyridine (2FPY), 2-(trifluoromethyl)­pyridine (2TPY), 2-methoxypyridine (2MOPY), and 2EPY have been performed using the Multiwfn and VMD programs. The obtained bond critical point (BCP) and corresponding bond path are shown in Figure .…”

“…Although 2-hydroxypyridine has a higher abundance than 2-pyridone in the tautomeric mixture, only the 2-pyridone–H 2 O form stabilized by one N–H···O W and one O W –H···O HBs has been observed . In the 2-methoxypyridine (2MOPY)–H 2 O complex, besides the dominant O–H W ···N HB, the water oxygen prefers to interact with hydrogens of the methoxyl rather than of the ortho -position of PY …”