Japan Science and Technology Agency

Junko Ariyoshi

Makoto Fujita

Yasuhide Inokuma

Shota Yoshioka

The present invention is a method for preparing a crystal structure analysis sample in which a molecule of an organic compound for which a molecular structure is to be determined, is arranged in pores and voids of a polymer-metal complex crystal in an ordered manner. The method includes immersing a polymer-metal complex crystal including a guest compound in a solvent solution that includes the organic compound, the polymer-metal complex crystal including a guest compound being the polymer-metal complex crystal comprising a polymer-metal complex that comprises a ligand having two or more coordinating moieties. A ratio of an amount of the guest compound (A) present in the pores and the voids to a total amount of the guest compound included in the pores and the voids being 60 mol % or more.

Guest-compound-enveloping polymer-metal-complex crystal, method for producing same, method for preparing crystal structure analysis sample, and method for determining molecular structure of organic compound

The present invention is: a guest-compound-enveloping polymer-metal-complex crystal characterized by at least one selected from an aliphatic hydrocarbon, an alicyclic hydrocarbon, an ether, an ester, an aromatic hydrocarbon, a halogenated hydrocarbon, and a nitrile being enveloped as a guest compound (A) in the minute pores or the like of a polymer-metal complex that contains a metal ion as a central metal and a ligand having at least two ligating sites, has a 3D network structure formed by the ligand being ligated to the metal ion, and has the minute pores or the like regularly arranged three-dimensionally within the 3D network structure, the amount of the guest compound (A) present within the minute pores or the like being at least 60 mol % of all the guest compounds enveloped in the minute pores or the like; a method for producing the guest-compound-enveloping polymer-metal-complex crystal; a method for preparing a crystal structure analysis sample using the crystal; and a method for determining the molecular structure of an organic compound using the sample obtained by said method.

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Tokyo, Japan

Junko Ariyoshi