In view of the experimental determination of the NF bond length in NF: by Christe et al. (197 1) it is worthwhile to attempt to predict the NF bond length in N2 F+ , the NF bond with the largest known NF force constant. Calculations at the HF/4-3 1 G, HF/6-3 lG\* and MP2/6-3 IG\* levels were complet
Study of the transition state in the isomerization oftrans-N2F2tocis-N2F2by extended Hückel theory
✍ Scribed by N. K. Ray; P. T. Narasimhan
- Publisher
- Springer
- Year
- 1968
- Tongue
- English
- Weight
- 403 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
Complete optimization of the molecular geometry of NzF2 confirmed the two previously assumed activated complexes (AC's) for the title reaction. The contributions of both AC's were precisely weighed up in terms of the activated-complex theory. The possibdity of an autocatalysed chain mechanism is dis
lgF-N.m.r. studies show that N-trifluoroacetyl-D-and -r\_-4-fluorophenylalanine and iV-trifluoroacetyl-D-and -L-phenylalanine form 1: 1 inclusion complexes with cyclomaltohexaose (a-cyclodextrin) characterised by stability constants of 11.44 k1.13, 11.40 k1.09, 6.15 kO.59, and 6.37 kO.81 M-I, respec