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What is chemical shift assignment?

Chemical shift assignment is the process and the result of attributing a specific chemical shift value to a nucleus. You might find these chapters and articles relevant to this topic. Metin Balci, in Basic 1H- and 13C-NMR Spectroscopy, 2005 This chapter discusses the chemical shift and the many effects that influence the chemical shift. ...

Why are chemical shifts important?

Chemical shifts are one of the most useful indicators we have of chemical environment. Inductive effects from atoms one or two bonds distant can often be readily recognized and put to good use. The additive nature of these inductive effects is also extant, thus allowing us to further refine our chemical shift intuition. ...

How do you calculate scaled chemical shift values?

Scaled chemical shift values can be obtained from δpredicted = δcalculated * slope + intercept, using slope and intercept values for electronic structure methods shown in Table 9. Table 9. ...

What is a chemical shift index?

In the first stage, a chemical shift index (a ternary index having values of - 1 , 0, and 1) is assigned to all identifiable residues on the basis of chemical shift values. ...

What factors influence chemical shifts?

Chemical shifts are influenced by many factors; e.g., chemical shifts reflect not only the electronegativity of nearby atoms but also bond hybridization as manifested through constraints imposed by molecular geometry, and proximity to aromatic and other electron-rich systems. ...

Can chemical shift data provide structural information?

If, however, we apply the necessary care and diligence, it should be obvious that chemical shift data could potentially offer as much structural informa- 52 G. P. Gippert, P. F. Yip, P. E. Wright, and D. A. Case, Biochem. Pharmacol. 40, 15 (1990). 5t y. Gao, N. C. Veitch, and R. J. P. Williams, J. Biomol. NMR 1, 457 (1991). ...