The inΓuence of hydrogen bonding (HB) on the 13C chemical shift tensors in four solid amino acids was studied by the ab initio gauge-included atomic orbital (GIAO) approach. The results of the present calculations were compared with those predicted previously and with the experimentally observed shi
Hydrogen bonding and conformational effects on13 chemical shifts of hydroxybenzaldehydes in the solid state
β Scribed by F. Imasihro; S. Maeda; K. Takegoshi; T. Terao; A. Saika
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 286 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
In high-resolution solidstate CP/MAS 13C NhfR spectra of several hydrosybenzaldehydes, the downfield shifts due to hydrogen bonding for the carbonyl carbons are found to vary inversely with the O...O hydrogen-bond distances_ Conformations of the aldehyde groups in the solid state are determined by the chemical shifts of the ortho carbons.
π SIMILAR VOLUMES
17O chemical shifts were measured in 40 enamines activated in the b-position by CxO, COO, NO 2 , SO and groups. Data for the oxygen-containing series of o-hydroxyacyl aromatics are also included for com-SO 2 parison. Intramolecular hydrogen bonding in the enamines is discussed in terms of the accept
From high-resolution solid-state lSC NMR spectra for the enol forms of some diketones, an average chemical shift of the carbonyl and enol carbons in dimedone is found to move remarkably downfield compared with the corresponding shift in DMSO~/6, which is ascribed to a strong intermolecular hydrogen