IR and NMR Spectral Diagnostics of Hydrogen Bond Energy and Geometry

Evolution of vibrational bands upon gradual protonation/deprotonation of arsinic acid H2As(O)OH in media of different polarity

“…stabilization of polar structures. For neutral complexes (10,33,38,40; regardless, whether they are molecular or zwitterionic) this means an increase of proton transfer coordinate q 1 (data points in Fig. 5a move to the right).…”

“…One can speculate that the electronic shells of proton-donor and proton-acceptor groups in acids with heavier pnictogen atoms, such as, arsinic acids R 1 R 2 As(O)OH, would be even less interacting due to an increase of the metallic properties of the pnictogen. At the moment hydrogen bonding with participation of arsinic acids is poorly studied 36,37 and methods of its spectral diagnostics [38][39][40][41][42][43] are not developed.…”

Dynamics of non-covalent interactions during the P–O bond cleavage reaction by ribonuclease A

“…That is, we can say that the processes of proton transfer in hydrogen bonds 1 and 21 are synchronized, as well as the pnictogen bond 14 are anticooperative to both 1 and 21. [49][50][51] For the N-HÁ Á ÁO 6 hydrogen bond formed between the amine proton of Met13 and the carbonyl oxygen of Gln11, four proton transition events are observed in the intervals of 9-10 ps, 13-5 ps, 22-24 ps and 25-31 ps. However, this hydrogen bond is located quite far from the part of the active center of RNase A, so that most likely the proton transfers are associated with the peculiarities of electron density dynamics in regions close to the edges of the simulated fragment and, therefore, may be an artifact.…”

Complexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of PO stretching bands

“…2,3 There are other correlations too, some of which are outlined in ref. 4. Much less studied are relationship between the hydrogen bond strength and the spectral properties of the PQO group, which is a constituent part of phosphine oxides, phosphinic, phosphoric and phosphonic acids and their anions.…”