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
β¦ LIBER β¦
Hydrogen-bonding effect on 13C NMR chemical shifts of amino acid residue carbonyl carbons of some peptides in the crystalline state
β Scribed by Kaoru Tsuchiya; Akihiro Takahashi; Naoto Takeda; Naoki Asakawa; Shigeki Kuroki; Isao Ando; Akira Shoji; Takuo Ozaki
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 469 KB
- Volume
- 350
- Category
- Article
- ISSN
- 0022-2860
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A reverse __ortho__ effect is observed for the ^13^βC NMR chemical shifts of the carboxyl carbon (__Ξ΄__~co~) in benzoic acids measured in aprotic solvents of varying polarity. The __ortho__ effect on __Ξ΄__~co~ is best described by a combination of the reverse field and steric accelerating effects of