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Titlebook: Van der Waals Forces and Shielding Effects; P. Diehl,E. Fluck,R. Kosfeld Conference proceedings 1975 Springer-Verlag Berlin · Heidelberg 1

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书目名称Van der Waals Forces and Shielding Effects
编辑P. Diehl,E. Fluck,R. Kosfeld
视频video
丛书名称NMR Basic Principles and Progress
图书封面Titlebook: Van der Waals Forces and Shielding Effects;  P. Diehl,E. Fluck,R. Kosfeld Conference proceedings 1975 Springer-Verlag Berlin · Heidelberg 1
描述The usefulness of solvent effect studies on NMR chemical shifts need not be elabo­ rated here; many applications of solvent effects continue to be published in great profusion. Quite a few intermolecular phenomenae may contribute to solvent shifts, but there is always the ubiquitous Van der Waals effect ow. Contrary to such other effects as neighbour anisotropy 0a, reaction field contribution 0E or complexation effects 0e, no major direct use has yet been found for the Van der Waals effect. So far the role of the Van der Waals effect has been that of a nasty, disturbing phenom­ enon, something to be eliminated at all costs. But it is precisely in this latter respect where almost all solvent effect studies fall short. Not only is Ow usually large (larger than 0a and 0E even in 1 H NMR and probably the dominating term with heavier nuclei), but it is strongly variable from one solute to another and even from one nu­ clear site to another in the same solute molecule. No referencing technique, however cleverly devised, will be capable of eliminating the Ow contribution from the other, presumedly more interesting contributions. It appeared quite recently that mathematical trickery by the
出版日期Conference proceedings 1975
关键词Chemische Verschiebung; Magnetische Kernresonanz; Molekularkraft; Shielding; molecule
版次1
doihttps://doi.org/10.1007/978-3-642-66176-1
isbn_softcover978-3-642-66178-5
isbn_ebook978-3-642-66176-1Series ISSN 0170-5989
issn_series 0170-5989
copyrightSpringer-Verlag Berlin · Heidelberg 1975
The information of publication is updating

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The Site Factor, between the centres of mass. In NMR, where measurements are done on nuclei (.H, .F) which are usually on the periphery of the molecules such assumption seems not too well warranted; a fact recognized, but still neglected in the early work of Bothner-By [.] and of others after him [.].
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Factor Analysis,ntribuant; σ.. At the same time it is clear that our preoccupation with σ. has as one of its goals the development of a model for σ. which allows us to . σ. with good confidence in those systems where the medium shift is composed of two or more terms. Factor analysis therefore seems to provide an alternative way of separating these effects.
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,Pair Interaction Models for σw, the molar volume of the medium (tobe averaged on a mole fraction basis in case of mixtures), σ. is the 2. virial coefficient of corresponding to . collisions while σ., σ.... correspond to ternary and higher order collisions.
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The Parameters ,,th . where some model for . has been inserted. With such a “simulated” field one then arrives at “simulated” . parameters. Such calculations have also been included in the present chapter. Therefore the material of this chapter will allow a comparison between the effective electric field theories and the direct interactive theories for σ..
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,σw of Nuclei other than 1H and 19 F, In subsequent paper [.] several more of such data were given, but a full discussion of the .C, .Si and .H solvent effects of TMS and cyclohexane by Bacon and Maciel [.] includes all previous data. In Table 41 all the relevant data . pertaining to pure σ. effects only) is given.
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