FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4295692746> ?p ?o ?g. }

• W4295692746 endingPage "22959" @default.
• W4295692746 startingPage "22950" @default.
• W4295692746 abstract "The gas-phase structures of cationized glycine (Gly), including complexes with Li+, Na+, K+, Rb+, and Cs+, are examined using infrared multiple-photon dissociation (IRMPD) spectroscopy utilizing light generated by a free electron laser, in conjunction with ab initio calculations. To identify the structures present in the experimental studies, measured IRMPD spectra are compared to spectra calculated at B3LYP/6-311+G(d,p) for the Li+, Na+, and K+ complexes and at B3LYP/def2TZVP for the Rb+ and Cs+ complexes. Single-point energy calculations were carried out at the B3LYP, B3P86, and MP2(full) levels using the 6-311+G(2d,2p) basis set for Li+, Na+, K+ and the def2TZVPP basis set for Rb+ and Cs+. The Li+ and Na+ complexes are identified as metal cation coordination to the amino nitrogen and carbonyl oxygen, [N,CO]-tt, although Na+(Gly) may have contributions from additional structures. The heavier metal cations coordinate to either the carbonyl oxygen, [CO]-cc, or the carbonyl oxygen and hydroxy oxygen, [CO,OH]-cc, with the former apparently preferred for Rb+ and Cs+ and the latter for K+. These two structures reside in a double-well potential and different levels of theory predict very different relative stabilities. Some experimental evidence is provided that MP2(full) theory provides the most accurate relative energies." @default.
• W4295692746 created "2022-09-14" @default.
• W4295692746 creator A5012564920 @default.
• W4295692746 creator A5034934143 @default.
• W4295692746 creator A5041727497 @default.
• W4295692746 creator A5068455024 @default.
• W4295692746 creator A5071078818 @default.
• W4295692746 creator A5082132746 @default.
• W4295692746 date "2022-01-01" @default.
• W4295692746 modified "2023-09-30" @default.
• W4295692746 title "Infrared multiple-photon dissociation spectroscopy of cationized glycine: effects of alkali metal cation size on gas-phase conformation" @default.
• W4295692746 cites W1949920760 @default.
• W4295692746 cites W1971133985 @default.
• W4295692746 cites W1971275758 @default.
• W4295692746 cites W1971860312 @default.
• W4295692746 cites W1973287925 @default.
• W4295692746 cites W1975708211 @default.
• W4295692746 cites W1976537205 @default.
• W4295692746 cites W1992963114 @default.
• W4295692746 cites W1996846370 @default.
• W4295692746 cites W2011191822 @default.
• W4295692746 cites W2036888928 @default.
• W4295692746 cites W2040743053 @default.
• W4295692746 cites W2048036159 @default.
• W4295692746 cites W2058363175 @default.
• W4295692746 cites W2072753787 @default.
• W4295692746 cites W2075677829 @default.
• W4295692746 cites W2077090501 @default.
• W4295692746 cites W2078145822 @default.
• W4295692746 cites W2081102481 @default.
• W4295692746 cites W2082708368 @default.
• W4295692746 cites W2089163674 @default.
• W4295692746 cites W2092157292 @default.
• W4295692746 cites W2096596459 @default.
• W4295692746 cites W2096747776 @default.
• W4295692746 cites W2114457656 @default.
• W4295692746 cites W2119205757 @default.
• W4295692746 cites W2124367905 @default.
• W4295692746 cites W2138393108 @default.
• W4295692746 cites W2140859613 @default.
• W4295692746 cites W2143981217 @default.
• W4295692746 cites W2145371909 @default.
• W4295692746 cites W2146018837 @default.
• W4295692746 cites W2155102343 @default.
• W4295692746 cites W2163819082 @default.
• W4295692746 cites W2324813303 @default.
• W4295692746 cites W2532956104 @default.
• W4295692746 cites W2946421979 @default.
• W4295692746 cites W3182127827 @default.
• W4295692746 cites W3208935168 @default.
• W4295692746 cites W4229732210 @default.
• W4295692746 cites W4255642431 @default.
• W4295692746 cites W4280508458 @default.
• W4295692746 doi "https://doi.org/10.1039/d2cp03469g" @default.
• W4295692746 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36125205" @default.
• W4295692746 hasPublicationYear "2022" @default.
• W4295692746 type Work @default.
• W4295692746 citedByCount "2" @default.
• W4295692746 countsByYear W42956927462023 @default.
• W4295692746 crossrefType "journal-article" @default.
• W4295692746 hasAuthorship W4295692746A5012564920 @default.
• W4295692746 hasAuthorship W4295692746A5034934143 @default.
• W4295692746 hasAuthorship W4295692746A5041727497 @default.
• W4295692746 hasAuthorship W4295692746A5068455024 @default.
• W4295692746 hasAuthorship W4295692746A5071078818 @default.
• W4295692746 hasAuthorship W4295692746A5082132746 @default.
• W4295692746 hasConcept C102931765 @default.
• W4295692746 hasConcept C120665830 @default.
• W4295692746 hasConcept C121332964 @default.
• W4295692746 hasConcept C147597530 @default.
• W4295692746 hasConcept C147789679 @default.
• W4295692746 hasConcept C152365726 @default.
• W4295692746 hasConcept C153642686 @default.
• W4295692746 hasConcept C158355884 @default.
• W4295692746 hasConcept C178790620 @default.
• W4295692746 hasConcept C183971685 @default.
• W4295692746 hasConcept C185592680 @default.
• W4295692746 hasConcept C198091228 @default.
• W4295692746 hasConcept C2781442258 @default.
• W4295692746 hasConcept C32891209 @default.
• W4295692746 hasConcept C32909587 @default.
• W4295692746 hasConcept C3896420 @default.
• W4295692746 hasConcept C540031477 @default.
• W4295692746 hasConcept C544153396 @default.
• W4295692746 hasConcept C54582936 @default.
• W4295692746 hasConcept C62396407 @default.
• W4295692746 hasConcept C62520636 @default.
• W4295692746 hasConcept C65956243 @default.
• W4295692746 hasConcept C75473681 @default.
• W4295692746 hasConcept C8010536 @default.
• W4295692746 hasConceptScore W4295692746C102931765 @default.
• W4295692746 hasConceptScore W4295692746C120665830 @default.
• W4295692746 hasConceptScore W4295692746C121332964 @default.
• W4295692746 hasConceptScore W4295692746C147597530 @default.
• W4295692746 hasConceptScore W4295692746C147789679 @default.
• W4295692746 hasConceptScore W4295692746C152365726 @default.
• W4295692746 hasConceptScore W4295692746C153642686 @default.
• W4295692746 hasConceptScore W4295692746C158355884 @default.

• next