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NH tex2html_wrap_inline1898 in liquid ammonia

Generally, very little is known about the solvation structures of anions associated with protonic defects, but what information exists indicates that these anions exhibit a rich and complex behavior in solution (see, e.g., Refs. [8],  [9] and  [73]). Unlike the cation case, the anions of protonic defects possess a considerably more dynamic solvation shell that fluctuates among a variety of structural motifs. In addition, many of these structures correspond to unexpectedly high coordination numbers. These unusually high coordination numbers result partly or entirely from a relatively large number of solvent molecules donating hydrogen bonds to the anion than would be expected based on the number of lone pairs. This phenomenon has already been observed for OH tex2html_wrap_inline1970 in water both experimentally [74] and theoretically [8, 9]. The case of NH tex2html_wrap_inline1898 in ammonia will be seen to possess equally rich structural properties, which will be shown to arise from a strong delocalization of the lone pair electrons.





Mark Tuckerman
Mon Mar 26 01:25:53 EST 2001