Molecular structure and vibrational spectra of 2-amino-5-methyl pyridine and 2-amino-6-methyl pyridine by density functional methods
β Scribed by N. Sundaraganesan; C. Meganathan; Mustafa Kurt
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 323 KB
- Volume
- 891
- Category
- Article
- ISSN
- 0022-2860
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Four of the most stable conformers of 2-amino-pyridine betaine (1-carboxymethyl-2-amino-pyridinium inner salt) monohydrates, 2-NH 2 PB$H 2 O, and one anhydrous were analyzed by the B3LYP/6-31G(d,p) calculations and compared with the X-ray data. Two types of optimized conformers can be distinguished:
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