Casanueva, J.; San Fabia´n, J.; D´iez, E.; Esteban, A. L. NMR spin-spin coupling constants in water molecule: equilibrium and rovibrational values. J. Mol. Struct. 2001, 565, 449-454.NMR spin–spin coupling constants in water molecule: equilibrium and rovibrational - Casanueva,...
参数设置如下: ADFinput > Properties > NMR,选中关心的某个原子,例如本例中关心的是第11号原子(H),希望计算8号原子(H)对它的造成的耦合常数的大小。那么首先选中8号原子,然后点击Perturbing atoms后面的➕,然后选中11号原子,点击Responding atoms后面的➕,如下图所示(当然,这两者都可以选中多个原子然后点➕...
Principles in NMR Spectroscopy B. Diehl, in NMR Spectroscopy in Pharmaceutical Analysis, 2008 5.5 Heteronuclear coupling The spin–spin coupling is not restricted to protons (homonuclear couplings). All NMR-active isotopes show spin–spin couplings among each other. The type and the intensity depend...
NMR spectroscopyYtterbiumThis is a report on the synthesis and structure of novel dinuclear YbII complexes. In one of the described compounds, the two YbII centres are in close proximity and chemically different. Thus, an f-block-element-f-block-element coupling pattern was observed. The low-...
The source of spin-spin coupling The1H-NMR spectra that we have seen so far (of methyl acetate andpara-xylene) are somewhat unusual in the sense that in both of these molecules, each set of protons generates a single NMR signal. In fact, the1H-NMR spectra of most organic molecules conta...
摘要: The fine structure in high-resolution NMR spectra produced by spin—spin coupling* between magnetic nuclei provides a very important source of information on the structure of complex organic molecules and the distribution of the electron cloud in them....
Scalar NMR spin-spin coupling constants across hydrogen bonds are fundamental in structural studies and as test grounds for theoretical calculations. Since... I Alkorta,J Elguero,GS Denisov - 《Magnetic Resonance in Chemistry》 被引量: 155发表: 2008年 Nuclear spin-spin coupling in the acetylene ...
The source of spin-spin coupling The1H-NMR spectra that we have seen so far (of methyl acetate andpara-xylene) are somewhat unusual in the sense that in both of these molecules, each set of protons generates a single NMR signal. In fact, the1H-NMR spectra of most organic molecules conta...
Volume 22, Issue 23, page no, June 11, 1991 Additional Information How to Cite SANDERS, J. C. P. and SCHROBILGEN, G. J. (1991), ChemInform Abstract: Structural Aspects of Spin-Spin Coupling in Multi-NMR Spectroscopy. ChemInform, 22: no. doi: 10.1002/chin.199123319 Author Information De...
An explanation is given for the change in the multiplicity of the signals of the protons of the vinyl group in the NMR spectrum of 1-vinylpyrazole, taken with the addition of a nickel salt.doi:10.1007/BF00922482V. K. VoronovIrkutsk Institute of Organic Chemistry, Siberian Branch, Academy of...