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Colossal Thermal Expansion in Molecular Cocrystals through Softening of their Hydrogen Bonds

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Zenodo2025-08-27 更新2026-05-26 收录
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Raw data for publication:Colossal Thermal Expansion in Molecular Cocrystals through Softening of their Hydrogen Bonds Content: 1) Folder Br-DPA-AzoBipy and Br-DPA-BipyEt contain data for BrDPA:AzoBipy and BrDPA:BipyEt cocrystals, respectively, with following experiments under MAS condition: Temperature indicated in the filename correspond to termocoupler reading. Calibrated real temperature of the sample are listed in the main text. ..._satrec_1H_echo_... indicates 1H saturation recovery experiment with echo detection ..._1H_echo_... idicates 1D 1H spectra acquired using echo detection ...cpmas_13C_... indicates 13C{1H} CPMAS experiment 2) Folder experimental_2H_BrDPA_Azobipy contains static 2H spectra of deuterium labelled BrDPA:Azobipy (either on BrDPA or Azobipy phenyls) used for figure S11. 3) Folder 2H_simulation contain Matlab scripts for simulation of 2H spectra using Spinach library.

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2025-08-27
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