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• W2775335934 abstract "Two new crystalline salts: β-alaninium trifluoromethanesulfonate (β-AlaOTf) and bis(β-alanine) trifluoromethanesulfonate (β-2AlaOTf) were obtained. The former one contains diprotonated β-alanine dimer, the latter one monoprotonated β-alanine dimer. Both compounds were studied by single crystal XRD, vibrational (IR and Raman) spectroscopy and calorimetric method. The quantum-mechanical calculations (DFT/B3LYP/6-311++G(2d,2p)) for the diprotonated dimer were carried out. The β-AlaOTf salt crystallizes in the P1¯ space group of triclinic system (Z=2), the β-2AlaOTf in the P21/m space group of monoclinic system (Z=2). The vibrational data for the studied compounds are discussed in relation to their crystal structure, and provide insight into the character of hydrogen bonds and β-alanine protonation. The studied crystals do not exhibit phase transitions in the solid state." @default.
• W2775335934 created "2017-12-22" @default.
• W2775335934 creator A5022288134 @default.
• W2775335934 creator A5055337452 @default.
• W2775335934 date "2018-03-01" @default.
• W2775335934 modified "2023-09-25" @default.
• W2775335934 title "Different β-alanine dimeric forms in trifluoromethanesulfonic acid salts. XRD and vibrational studies" @default.
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• W2775335934 doi "https://doi.org/10.1016/j.saa.2017.12.018" @default.
• W2775335934 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29227956" @default.
• W2775335934 hasPublicationYear "2018" @default.
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