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EFFECT OF HYDROGEN BOND ON VIBRATIONAL SPECTRA OF FULLERENE-GLYCINE AND FULLERENE PHENYLALANINE

机译:氢键对富勒烯-甘氨酸和富勒烯苯丙氨酸振动光谱的影响

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摘要

Vibrational IR and Raman spectra of fullerene derivatives – fullerene-glycine (C60-Gly) and fullerene-phenylalanine(C60-Phe) were calculated. The parameters of hydrogen bridges of hydrogen bonds formed by water molecules with Glyand Phe fragments were determined. The vibrational spectra are analyzed and the frequency and intensity shiftscorresponding to the q(OH) and q(NH) valence vibrations in the formation of hydrogen bonds were identified.
机译:富勒烯衍生物–富勒烯-甘氨酸(C60-Gly)和富勒烯-苯丙氨酸的振动红外光谱和拉曼光谱 (C60-Phe)被计算。水分子与Gly形成氢键的氢桥参数 和苯丙氨酸片段被确定。分析了振动光谱,频率和强度发生了变化 对应于氢键形成中的q(OH)和q(NH)价态振动。

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