The structure of gas-phase [Al·nH2O]+: hydrated monovalent aluminium Al+(H2O)n or hydride-hydroxide HAlOH+(H2O)n−1?
文献情報
Christian van der Linde, Martin K. Beyer
Theoretical studies predict that [Al·nH2O]+clusters are present as hydride-hydroxide species HAlOH+(H2O)n−1 in gas-phase experiments, energetically favoured by 200 kJ mol−1 over Al+(H2O)n. After collisions with D2O, however, no H/D scrambling occurs between H2O and D2O in clusters with n > 38, indicating that large clusters are present as the higher-energy isomers Al+(H2O)n.
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![(3R,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-3,11-Dihydroxy-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-1,2,3,4,4a,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-5H-naphtho[2',1':4,5]cyc
lohepta[1,2-a]naphthalen-5-one structure (3R,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-3,11-Dihydroxy-10-(hydroxymethyl)-4,4,7a,10,13a,15b-hexamethyl-1,2,3,4,4a,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-5H-naphtho[2',1':4,5]cyc
lohepta[1,2-a]naphthalen-5-one structure](https://static.chemtradehub.com/structs/538/53800-21-8-9f18.webp)


