| Literature DB >> 16958508 |
Lauri Toom1, Agnes Kütt, Ivari Kaljurand, Ivo Leito, Henrik Ottosson, Helena Grennberg, Adolf Gogoll.
Abstract
Basicity constants for a series of 3,7-diazabicyclo[3.3.1]nonane derivatives in acetonitrile with a variation over 13 orders of magnitude have been determined using a spectrophotometric titration technique. An excellent correlation between basicity and calculated proton affinities obtained at PCM-B3LYP/6-31+G(d)//B3LYP/6-31G(d) level was found. The results are discussed in terms of substituent effects and compared to (15)N NMR chemical shifts.Entities:
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Year: 2006 PMID： 16958508 DOI： 10.1021/jo0604991
Source DB: PubMed Journal: J Org Chem ISSN： 0022-3263 Impact factor: 4.354