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首页> 外文期刊>International Journal of Quantum Chemistry >Crystal structure and phase transitions in N-benzyl piperidinium dihydrogenmonophosphate, C6H5CH2CHCH2CH2NH2CH2CH2 center dot H2PO4
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Crystal structure and phase transitions in N-benzyl piperidinium dihydrogenmonophosphate, C6H5CH2CHCH2CH2NH2CH2CH2 center dot H2PO4

机译：N-苄基哌啶二氢一磷酸C6H5CH2CHCH2CH2NH2CH2CH2中心点H2PO4的晶体结构和相变

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摘要

The salt N-benzyl piperidinium dihydrogenmonophosphate (N-BPP) is orthorhombic P2(1)2(1)2(1) with the following unit cell dimensions: a = 6.044(1) Angstrom, b = 9.038(1)Angstrom, c = 25.126(3)Angstrom, D-m = 1.302 Mg m(-3), D-x = 1.322 Mg m(-3), mu = 0.21 mm(-1), F(000) = 584; T = 298 K; R = 0.045, and R-w = 0.138 for 1721 independent reflections, The structure consists of infinite parallel two-dimensional planes built of mutually H2PO4- anions and [C6H5CH2CHCH2CH2NH2CH2CH2] + cations connected by strong O-H . . .O and N-H . . .O hydrogen bonding. There are no contacts other than normal van der Waals interactions between the layers, Differential scanning calorimetry study on N-BPP was carried out. A low-temperature phase transition at 269 K to an ordered phase was found. Measurements by the electric permittivity revealed a second-order phase transition at 269 K, The Raman and infrared of polycrystalline samples of N-BPP have been recorded at different temperatures between 170 and 435 K. (C) 2000 Academic Press. [References: 22]
机译：盐N-苄基哌啶二磷酸一氢盐（N-BPP）是正交晶体P2（1）2（1）2（1），具有以下晶胞尺寸：a = 6.044（1）埃，b = 9.038（1）埃，c = 25.126（3）埃，Dm = 1.302 Mg m（-3），Dx = 1.322 Mg m（-3），mu = 0.21 mm（-1），F（000）= 584; T = 298 K;对于1721次独立反射，R = 0.045，R-w = 0.138。该结构由相互平行的H2PO4-阴离子和[C6H5CH2CHCH2CH2NH2CH2CH2] +由强O-H连接的阳离子构成的无限平行二维平面组成。 。 .O和N-H。 。氢键。各层之间除了正常的范德华相互作用外没有其他接触，对N-BPP进行差示扫描量热研究。发现在269 K的低温相转变为有序相。通过介电常数的测量揭示了在269 K处的第二相变。已在170至435 K的不同温度下记录了N-BPP多晶样品的拉曼光谱和红外光谱。（C）2000 Academic Press。 [参考：22]

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