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• W2055788645 abstract "The high-yield synthesis of Dy3N@C80 (I) opens the possibility of characterizing its molecular and vibrational structures. We report on the structure determination of Dy3N@C80 (I) by X-ray crystallographic study of single crystal of Dy3N@C80·Ni(OEP)·2C6H6, revealing a nearly planar Dy3N cluster encapsulated in an Ih-C80 cage. The vibrational structure of Dy3N@C80 (I) is studied by Fourier transform infrared (FTIR) and Raman spectroscopy in combination with force-field calculations. A correlation was found between the antisymmetric metal-nitrogen stretching vibration and the structure of the M3N cluster of M3N@C80 (I) (M = Y, Gd, Tb, Dy, Ho, Er, Tm). Moreover, a stronger interaction between the encaged nitride cluster and the C80 carbon cage was found in the class II M3N@C80 (I) (M = Y, Gd, Tb, Dy, Ho, Er, Tm) than in Sc3N@C80 (I). This study demonstrates that the cluster size plays the dominating role in the structure of the M3N cluster in M3N@C80 (I)." @default.
• W2055788645 created "2016-06-24" @default.
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• W2055788645 date "2006-12-01" @default.
• W2055788645 modified "2023-10-16" @default.
• W2055788645 title "Deviation from the Planaritya Large Dy₃N Cluster Encapsulated in an <i>I</i><i>_h</i>-C₈₀ Cage: An X-ray Crystallographic and Vibrational Spectroscopic Study" @default.
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• W2055788645 doi "https://doi.org/10.1021/ja066814i" @default.
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