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A simple method for simulating lanthanide induced shifts in bifunctional substrates.

✍ Scribed by Antonino Recca; Paolo Finocchiaro

Publisher
Elsevier Science
Year
1974
Tongue
French
Weight
231 KB
Volume
15
Category
Article
ISSN
0040-4039

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✦ Synopsis

Recently we reported a simple topological approach to the computer simulation of Lanthanide Induced Shifts (LIS) in some substrates containing a carbonyl group:

This approach revealed that the Lanthanide complexed with the substrate only in certain preferred positions. More importantly,the results threw some light on the factors that influence the equilibria of confonnationally mobile systems when cost plexed with Lanthanide Shift Reagents (LSR).l Furthermore,we predicted that this simple approach could be readily extended to become a very convenient way to ana_ lyre the general problem,still unsolved,of the interaction of LSR with bi-and poly-functional substrates. 132

We now wish to report some preliminary results which show the reliability and utility of this approach to the interaction of LSR with bifunctional substrates.

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