核磁共振图谱nmr.pptx

NMR: 原子核间的相互作用;江南大学超值-划算--购物推荐群： 302284607;C-13 spectra;Electronegativity, hybridization, and anisotropy all affect 13C chemical shifts. The electronegative element produces a large downfield shift since the electronegativity atom is directly attached to the 13C atom. ;;B. Calculation of 13C Chemical Shifts;Spin-Spin Coupling;同核J-偶合(Homonuclear J-Coupling);Ha;自旋-自旋偶合引起共振线的分裂而形成多重峰.多重峰实际代表了相互作用的原子核彼此间能够出现的空间取向组合.;Ha;;;proton-coupled spectra (nondecoupled spectra) ; 如果峰数不多，偶合的方式仍可分析出。但当很多锋出现时，偶合方式的分析就不是那么容易。 直接偶合: 1J(13C,1H) ~ 125 - 150Hz 长程偶合: nJ(13C,1H) ~ 1 - 10Hz ;Proton-Decoupled 13C Spectra;氢对碳的偶合作用可以通过对氢施加一个脉冲消除。此一技术称为去偶。对氢核的饱和照射，促使氢核的自旋状态快速的变换，临近的碳核无法感觉到氢核的自旋状态的取向而只感受到氢核两种取想的平均效果。具体的说，对氢核的饱和照射使碳核原来的两条共振线w-J/2和w+J/2合并平均而得到[(w-J/2)+(w+J/2)]/2=w。;Fig. 4-2.5 The proton-decoupled 13C spectrum of 1-propanol;氢去偶除简化碳谱还因为有核的Overhauser效应而增加信噪比。;Nuclear Overhauser Enhancement (NOE);The maximum enhancement;Cross-polarization;NOEs are sometimes used to verify peak assignments.;4-2.6 Problems with Integration in 13C Spectra;4-2.7 Molecular Relaxation Process;T2≤T1, spin=1/2 and a solvent of low viscosity, T2 and T1 are usually very similar.;To obtain a decent spectrum of this compound, it would be necessary to extend the data acquisition and delay periods so as to determine the entire spectrum of the molecule and see the carbons with high T1 values. ;;4-2.10 Some Sample Spectra-Equivalent Carbons;Fig. 4-2.9 The proton-decoupled 13C NMR spectrum of cyclohexanol ;Fig. 4-2.10 The Proton-decoupled 13C NMR spectrum of cyclohexene;Fig. 4-2.11 The Proton-decoupled 13C NMR spectrum of cyclohexanone.;4-2.11 Compounds with Aromatic Rings;Fig. 4-2.12 The Proton-decoupled 13C NMR spectrum of toluene.;A symmetrically disubstituted;Polysubstitution;4-2.11 C-13 NMR Solvents-Heteronuclear Coupling of C to Deuterium;Example4-2.1 C3H6O2;Example4-2.2 C4H10O;C5H8O2, an ester;C7H8O;C8H8O;DEPT 极化转移技术; DEPT：区分13C的级数;Fig. 4-2.8 (a) Standare 13C decoupled spectrum of ipsenol in CDCl3, a