FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2142801888> ?p ?o ?g. }

• W2142801888 endingPage "8974" @default.
• W2142801888 startingPage "8974" @default.
• W2142801888 abstract "In this manuscript, we propose a criterion for a weakly bound complex formed in a supersonic beam to be characterized as a ‘hydrogen bonded complex’. For a ‘hydrogen bonded complex’, the zero point energy along any large amplitude vibrational coordinate that destroys the orientational preference for the hydrogen bond should be significantly below the barrier along that coordinate so that there is at least one bound level. These are vibrational modes that do not lead to the breakdown of the complex as a whole. If the zero point level is higher than the barrier, the ‘hydrogen bond’ would not be able to stabilize the orientation which favors it and it is no longer sensible to characterize a complex as hydrogen bonded. Four complexes, Ar2–H2O, Ar2–H2S, C2H4–H2O and C2H4–H2S, were chosen for investigations. Zero point energies and barriers for large amplitude motions were calculated at a reasonable level of calculation, MP2(full)/aug-cc-pVTZ, for all these complexes. Atoms in molecules (AIM) theoretical analyses of these complexes were carried out as well. All these complexes would be considered hydrogen bonded according to the AIM theoretical criteria suggested by Koch and Popelier for C–H⋯O hydrogen bonds (U. Koch and P. L. A. Popelier, J. Phys. Chem., 1995, 99, 9747), which has been widely and, at times, incorrectly used for all types of contacts involving H. It is shown that, according to the criterion proposed here, the Ar2–H2O/H2S complexes are not hydrogen bonded even at zero kelvin and C2H4–H2O/H2S complexes are. This analysis can naturally be extended to all temperatures. It can explain the recent experimental observations on crystal structures of H2S at various conditions and the crossed beam scattering studies on rare gases with H2O and H2S." @default.
• W2142801888 created "2016-06-24" @default.
• W2142801888 creator A5020035013 @default.
• W2142801888 creator A5025030009 @default.
• W2142801888 date "2009-01-01" @default.
• W2142801888 modified "2023-10-11" @default.
• W2142801888 title "The hydrogen bond: a molecular beam microwave spectroscopist’s view with a universal appeal" @default.
• W2142801888 cites W1625942038 @default.
• W2142801888 cites W1964112344 @default.
• W2142801888 cites W1968695600 @default.
• W2142801888 cites W1968854422 @default.
• W2142801888 cites W1969169061 @default.
• W2142801888 cites W1978999731 @default.
• W2142801888 cites W1979526823 @default.
• W2142801888 cites W1997600712 @default.
• W2142801888 cites W2003608108 @default.
• W2142801888 cites W2003861720 @default.
• W2142801888 cites W2008881731 @default.
• W2142801888 cites W2016969720 @default.
• W2142801888 cites W2017702218 @default.
• W2142801888 cites W2019438068 @default.
• W2142801888 cites W2035256156 @default.
• W2142801888 cites W2036070960 @default.
• W2142801888 cites W2039346309 @default.
• W2142801888 cites W2048476652 @default.
• W2142801888 cites W2048750750 @default.
• W2142801888 cites W2049281887 @default.
• W2142801888 cites W2050269938 @default.
• W2142801888 cites W2058171010 @default.
• W2142801888 cites W2068875787 @default.
• W2142801888 cites W2081241277 @default.
• W2142801888 cites W2082009081 @default.
• W2142801888 cites W2082269735 @default.
• W2142801888 cites W2085108114 @default.
• W2142801888 cites W2093356232 @default.
• W2142801888 cites W2094342137 @default.
• W2142801888 cites W2094779140 @default.
• W2142801888 cites W2108700340 @default.
• W2142801888 cites W2110128093 @default.
• W2142801888 cites W2116672419 @default.
• W2142801888 cites W2132743159 @default.
• W2142801888 cites W2133348354 @default.
• W2142801888 cites W2148941593 @default.
• W2142801888 cites W2151978412 @default.
• W2142801888 cites W2152306218 @default.
• W2142801888 cites W2166668953 @default.
• W2142801888 cites W2950586850 @default.
• W2142801888 doi "https://doi.org/10.1039/b907708a" @default.
• W2142801888 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19812815" @default.
• W2142801888 hasPublicationYear "2009" @default.
• W2142801888 type Work @default.
• W2142801888 sameAs 2142801888 @default.
• W2142801888 citedByCount "46" @default.
• W2142801888 countsByYear W21428018882012 @default.
• W2142801888 countsByYear W21428018882013 @default.
• W2142801888 countsByYear W21428018882014 @default.
• W2142801888 countsByYear W21428018882015 @default.
• W2142801888 countsByYear W21428018882016 @default.
• W2142801888 countsByYear W21428018882017 @default.
• W2142801888 countsByYear W21428018882018 @default.
• W2142801888 countsByYear W21428018882019 @default.
• W2142801888 countsByYear W21428018882020 @default.
• W2142801888 countsByYear W21428018882021 @default.
• W2142801888 countsByYear W21428018882022 @default.
• W2142801888 countsByYear W21428018882023 @default.
• W2142801888 crossrefType "journal-article" @default.
• W2142801888 hasAuthorship W2142801888A5020035013 @default.
• W2142801888 hasAuthorship W2142801888A5025030009 @default.
• W2142801888 hasConcept C112887158 @default.
• W2142801888 hasConcept C121332964 @default.
• W2142801888 hasConcept C147597530 @default.
• W2142801888 hasConcept C178790620 @default.
• W2142801888 hasConcept C180205008 @default.
• W2142801888 hasConcept C184779094 @default.
• W2142801888 hasConcept C185592680 @default.
• W2142801888 hasConcept C32909587 @default.
• W2142801888 hasConcept C512968161 @default.
• W2142801888 hasConcept C53104380 @default.
• W2142801888 hasConcept C58364064 @default.
• W2142801888 hasConcept C62520636 @default.
• W2142801888 hasConcept C8010536 @default.
• W2142801888 hasConceptScore W2142801888C112887158 @default.
• W2142801888 hasConceptScore W2142801888C121332964 @default.
• W2142801888 hasConceptScore W2142801888C147597530 @default.
• W2142801888 hasConceptScore W2142801888C178790620 @default.
• W2142801888 hasConceptScore W2142801888C180205008 @default.
• W2142801888 hasConceptScore W2142801888C184779094 @default.
• W2142801888 hasConceptScore W2142801888C185592680 @default.
• W2142801888 hasConceptScore W2142801888C32909587 @default.
• W2142801888 hasConceptScore W2142801888C512968161 @default.
• W2142801888 hasConceptScore W2142801888C53104380 @default.
• W2142801888 hasConceptScore W2142801888C58364064 @default.
• W2142801888 hasConceptScore W2142801888C62520636 @default.
• W2142801888 hasConceptScore W2142801888C8010536 @default.
• W2142801888 hasIssue "40" @default.
• W2142801888 hasLocation W21428018881 @default.
• W2142801888 hasLocation W21428018882 @default.
• W2142801888 hasOpenAccess W2142801888 @default.

• next