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Comment on the Estimation of the Dimerisation Constant of Caffeine
Author(s) -
Stamm Helmut,
Timeus Friedrich
Publication year - 1984
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19840670816
Subject(s) - chemistry , extrapolation , dilemma , constant (computer programming) , estimation , caffeine , monomer , reliability (semiconductor) , computational chemistry , thermodynamics , statistics , organic chemistry , polymer , psychology , epistemology , psychiatry , computer science , programming language , management , economics , philosophy , power (physics) , mathematics , physics
Reasons for the low reliability of the Compare e.g. former results cited in [3][4] with our results in [3]. H‐NMR estimation of the dimerisation constant of caffeine in D 2 O are discussed. The main reasons are ( 1 ) strong influence of small variations in the monomer shifts δ 0 which are to be determined by extrapolation, and ( 2 ) disturbance by the formation of higher oligomers. The dilemma ist that attempts to minimize errors from ( 1 ) increase the influence of ( 2 ) and vice versa .