chemicalsh与ift化学位移.pptVIP

Chemical Shift;Chemical Shift;Chemical Shift;HO-CH2-CH3;Chemical Shift Scale;Standard References;Example;Chemical shifts are influenced by the electronic environment. Therefore, they are diagnostic for particular types of molecular structures. The following figure indicates average ranges of proton chemical shifts for different types of molecules.;Scales for Different Nuclei;.The shielding of different nuclei depends on the electron density in its surroundings. sdia (diamagnetic) : arises from the magnetic field opposing Bo from the electrons immediately surrounding the nucleus (s orbitals). spara(paramagnetic) : generated by electrons in p orbitals (as well as bonds…). It is in favor of Bo. sl : which is due to neighboring groups, and it can add or subtract from B0, depending on the nature of the group and its spatial orientation. sl is the term that actually makes nuclei with similar characteristics in a molecule have different shieldings (and therefore chemical shifts). ;Origins of s (Bloc );Inductive Effects;Inductive Effects;Conjugative Effects ;2) 1Hs on substituted aromatic systems.For example, in aniline we have an EDG, which has a +M effect. Since we’ll have more electron density in the ring, all protons will be more shielded than the respective protons in benzene (7.24 ppm). Furthermore, if we draw resonant structures we can see that the ortho and para positions will have a larger electron density. Therefore, protons attached to the ortho or para carbons will be more shielded (lower chemical shift):;On the other hand, nitrobenzene, which has an EWG, has a -M effect. All centers will have a lower electron density, but the ortho and para positions will have a particularly lowered electron density. All protons in nitrobenzene will be more deshielded than benzene. In particular, the effect at the ortho and para positions will be the largest.;Anisotropic Effects;Anisotropic Effects;Anisotropic Effects;Ring Current Effects;Ring Current Effects;Ring Current E