Studies in Nuclear Magnetic Resonance Spectroscopy. Long-range Shielding by Triple Bonds

Autor:	J. M. Jackman, George Y. Sarkis
Rok vydání:	1969
Předmět:	Magnetic anisotropy Paramagnetism Nuclear magnetic resonance Solid-state nuclear magnetic resonance Chemistry Chemical shift Electromagnetic shielding Molecule General Chemistry Nuclear magnetic resonance spectroscopy Two-dimensional nuclear magnetic resonance spectroscopy Molecular physics
Zdroj:	Bulletin of the Chemical Society of Japan. 42:1179-1186
ISSN:	1348-0634 0009-2673
DOI:	10.1246/bcsj.42.1179
Popis:	The magnetic shielding of nuclei due to distant chemical groups may be calculated from the knowledge of the magnetic anisotropy of the bonds in these groups. The reverse procedure, namely, the calculation of the magnetic anisotropy of bonds from NMR relative chemical shifts has been employed here to estimate the magnetic anisotropy of −C≡C, −C≡N, and −N≡C triple bonds. The paramagnetic contribution to the shielding of the acetylenic proton was estimated from the calculated value of ΔχC≡C, and from the known geometry of the molecule. The value thus obtained is compared with that calculated by quantum mechanical methods.
Databáze:	OpenAIRE
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