The molecular geometries, harmonic frequencies and intensities of the vibrational bands of a and b polymorphs of 4-hydroxy-1-methylpiperidine betaine hydrochloride (a-HO-MPBHรCl, b-HO-MPBHรCl) and their deuterated derivatives have been calculated with the B3LYP/6-31G(d,p) level of theory. The calcul
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Two polymorphs of 4-hydroxy-1-methylpiperidine betaine hydrochloride studied by X-ray and DFT methods
โ Scribed by Z. Dega-Szafran; E. Dulewicz; G. Dutkiewicz; Z. Kosturkiewicz; M. Szafran
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 464 KB
- Volume
- 751
- Category
- Article
- ISSN
- 0022-2860
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Four unknown compounds have been synthesized based on the molecular motif of 1-phenethyl-4hydroxy piperidinium hydrochloride with a variety of the substituted groups R on the same carbon atom bearing the hydroxy group, such as 3-fluorophenyl (3a), 4-methoxyphenyl (3b), 4-methylphenyl (3c) and cycloh