Matches in SemOpenAlex for { <https://semopenalex.org/work/W3022973977> ?p ?o ?g. }
- W3022973977 endingPage "2150" @default.
- W3022973977 startingPage "2150" @default.
- W3022973977 abstract "Due to the nature of the carboxylic group, acetic acid can serve as both a donor and acceptor of a hydrogen bond. Gaseous acetic acid is known to form cyclic dimers with two strong hydrogen bonds. However, trimeric and various oligomeric structures have also been hypothesized to exist in both the gas and liquid phases of acetic acid. In this work, a combination of gas-phase NMR experiments and advanced computational approaches were employed in order to validate the basic dimerization model of gaseous acetic acid. The gas-phase experiments performed in a glass tube revealed interactions of acetic acid with the glass surface. On the other hand, variable-temperature and variable-pressure NMR parameters obtained for acetic acid in a polymer insert provided thermodynamic parameters that were in excellent agreement with the MP2 (the second order Møller–Plesset perturbation theory) and CCSD(T) (coupled cluster with single, double and perturbative triple excitation) calculations based on the basic dimerization model. A slight disparity between the theoretical dimerization model and the experimental data was revealed only at low temperatures. This observation might indicate the presence of other, entropically disfavored, supramolecular structures at low temperatures." @default.
- W3022973977 created "2020-05-13" @default.
- W3022973977 creator A5007064621 @default.
- W3022973977 creator A5028880379 @default.
- W3022973977 date "2020-05-04" @default.
- W3022973977 modified "2023-10-05" @default.
- W3022973977 title "Dimerization of Acetic Acid in the Gas Phase—NMR Experiments and Quantum-Chemical Calculations" @default.
- W3022973977 cites W1964792807 @default.
- W3022973977 cites W1973385683 @default.
- W3022973977 cites W1981368803 @default.
- W3022973977 cites W1986055213 @default.
- W3022973977 cites W1990192306 @default.
- W3022973977 cites W1993077801 @default.
- W3022973977 cites W2002782616 @default.
- W3022973977 cites W2007894716 @default.
- W3022973977 cites W2010891033 @default.
- W3022973977 cites W2010932492 @default.
- W3022973977 cites W2012458244 @default.
- W3022973977 cites W2015054823 @default.
- W3022973977 cites W2018120102 @default.
- W3022973977 cites W2018139143 @default.
- W3022973977 cites W2023271753 @default.
- W3022973977 cites W2024337851 @default.
- W3022973977 cites W2031328838 @default.
- W3022973977 cites W2031550667 @default.
- W3022973977 cites W2035579984 @default.
- W3022973977 cites W2036113194 @default.
- W3022973977 cites W2044940178 @default.
- W3022973977 cites W2045048415 @default.
- W3022973977 cites W2047192441 @default.
- W3022973977 cites W2048142866 @default.
- W3022973977 cites W2048661733 @default.
- W3022973977 cites W2054164390 @default.
- W3022973977 cites W2056692254 @default.
- W3022973977 cites W2069006374 @default.
- W3022973977 cites W2078810170 @default.
- W3022973977 cites W2080618037 @default.
- W3022973977 cites W2085049828 @default.
- W3022973977 cites W2087585288 @default.
- W3022973977 cites W2089822691 @default.
- W3022973977 cites W2092157292 @default.
- W3022973977 cites W2111535295 @default.
- W3022973977 cites W2121831664 @default.
- W3022973977 cites W2133653692 @default.
- W3022973977 cites W2143981217 @default.
- W3022973977 cites W2148941593 @default.
- W3022973977 cites W2152647921 @default.
- W3022973977 cites W2159752439 @default.
- W3022973977 cites W2169038446 @default.
- W3022973977 cites W2273765423 @default.
- W3022973977 cites W2319436949 @default.
- W3022973977 cites W2323519269 @default.
- W3022973977 cites W2324033090 @default.
- W3022973977 cites W2334777414 @default.
- W3022973977 cites W2617631227 @default.
- W3022973977 cites W2624781207 @default.
- W3022973977 cites W2799666515 @default.
- W3022973977 cites W2899209047 @default.
- W3022973977 cites W2913714180 @default.
- W3022973977 cites W2952827562 @default.
- W3022973977 doi "https://doi.org/10.3390/molecules25092150" @default.
- W3022973977 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7248931" @default.
- W3022973977 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32375390" @default.
- W3022973977 hasPublicationYear "2020" @default.
- W3022973977 type Work @default.
- W3022973977 sameAs 3022973977 @default.
- W3022973977 citedByCount "12" @default.
- W3022973977 countsByYear W30229739772020 @default.
- W3022973977 countsByYear W30229739772021 @default.
- W3022973977 countsByYear W30229739772022 @default.
- W3022973977 countsByYear W30229739772023 @default.
- W3022973977 crossrefType "journal-article" @default.
- W3022973977 hasAuthorship W3022973977A5007064621 @default.
- W3022973977 hasAuthorship W3022973977A5028880379 @default.
- W3022973977 hasBestOaLocation W30229739771 @default.
- W3022973977 hasConcept C112887158 @default.
- W3022973977 hasConcept C147597530 @default.
- W3022973977 hasConcept C147789679 @default.
- W3022973977 hasConcept C178790620 @default.
- W3022973977 hasConcept C185592680 @default.
- W3022973977 hasConcept C2776673659 @default.
- W3022973977 hasConcept C2779074116 @default.
- W3022973977 hasConcept C3020013744 @default.
- W3022973977 hasConcept C32909587 @default.
- W3022973977 hasConcept C512968161 @default.
- W3022973977 hasConcept C93275456 @default.
- W3022973977 hasConceptScore W3022973977C112887158 @default.
- W3022973977 hasConceptScore W3022973977C147597530 @default.
- W3022973977 hasConceptScore W3022973977C147789679 @default.
- W3022973977 hasConceptScore W3022973977C178790620 @default.
- W3022973977 hasConceptScore W3022973977C185592680 @default.
- W3022973977 hasConceptScore W3022973977C2776673659 @default.
- W3022973977 hasConceptScore W3022973977C2779074116 @default.
- W3022973977 hasConceptScore W3022973977C3020013744 @default.
- W3022973977 hasConceptScore W3022973977C32909587 @default.
- W3022973977 hasConceptScore W3022973977C512968161 @default.
- W3022973977 hasConceptScore W3022973977C93275456 @default.
- W3022973977 hasIssue "9" @default.