# Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cation https://mdr.nims.go.jp/datasets/1ab51cda-9588-46c7-8ed7-748d1683d2f8 ## File - [nakajima_250116c_rev.pdf](https://mdr.nims.go.jp/filesets/56abcb8c-b9bd-4f58-b912-64584d7d8ee5/download) ([Detail](https://mdr.nims.go.jp/filesets/56abcb8c-b9bd-4f58-b912-64584d7d8ee5.md)) ## Id 1ab51cda-9588-46c7-8ed7-748d1683d2f8 ## Local identifier ## Visibility open_to_public ## State published ## Created at 2025-03-21T01:41:21.726022Z ## Updated at 2025-03-26T08:26:53.591195Z ## Published at 2025-03-26T08:26:53.719621Z ## Doi https://doi.org/10.48505/nims.5377 ## First published url https://doi.org/10.1039/D4SC07576E ## Date published 2025-02-19 ## Recorded date published 2025-3-19 ## Resource type journal_article ## Manuscript type accepted_manuscript ## Collection ## Title - title: Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cation title_type: original lang: en ## Description - description: An expanded π-electronic cation, benzoporphyrin Au(III) complex, was synthesized as the component of ion pairs in combination with counteranions. In contrast to benzoporphyrin, which has been known for its insolubility in organic solvents, the ion pairs with bulky anions in this study were soluble in common organic solvents. The ion pairs formed charge-segregated assemblies as two pseudo-polymorphs of single-crystal and less-crystalline (LeC) states based on stacking the benzoporphyrin Au(III) complex. XRD, solid-state NMR measurements, and molecular dynamics (MD) simulation revealed that the LeC states were formed by a less-ordered arrangement of constituting ions induced by bulky counteranions. Electric conductive properties were observed in the obtained single-crystal and LeC charge-segregated assemblies. description_type: abstract lang: eng ## Creator - name: Yohei Haketa role: author organization: Ritsumeikan University - name: Ryoya Nakajima role: author organization: Ritsumeikan University - name: Yuto Maruyama role: author organization: Ritsumeikan University - name: Hiroki Tanaka role: author organization: Ritsumeikan University - name: Wookjin Choi role: author organization: Kyoto University - name: Shu Seki role: author organization: Kyoto University - name: Shunsuke Sato role: author organization: Kitasato University - name: Hitomi Baba role: author organization: Kitasato University - name: Yoshiki Ishii role: author organization: Kitasato University - name: Go Watanabe role: author organization: Kitasato University - name: Kirill Bulgarevich role: author organization: RIKEN Center for Emergent Matter Science - name: Kazuo Takimiya role: author organization: RIKEN Center for Emergent Matter Science - name: Kenzo Deguchi role: author organization: National Institute for Materials Science department: Research Network and Facility Services Division/Materials Fabrication and Analysis Platform/High Magnetic Field Characterization Unit - name: Shinobu Ohki role: author orcid: https://orcid.org/0000-0002-7357-3833 organization: National Institute for Materials Science department: Research Network and Facility Services Division/Materials Fabrication and Analysis Platform/High Magnetic Field Characterization Unit ror: https://ror.org/026v1ze26 - name: Kenjiro Hashi role: author orcid: https://orcid.org/0000-0002-0320-4768 organization: National Institute for Materials Science department: Center for Basic Research on Materials/Advanced Materials Characterization Field/Solid-State NMR Group ror: https://ror.org/026v1ze26 - name: Takashi Nakanishi role: author orcid: https://orcid.org/0000-0002-8744-782X organization: National Institute for Materials Science department: Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials Field/Frontier Molecules Group ror: https://ror.org/026v1ze26 - name: Yukihide Ishibashi role: author organization: Ehime University - name: Tsuyoshi Asahi role: author organization: Ehime University - name: Kazuchika Ohta role: author organization: Shinshu University - name: Hiromitsu Maeda role: author organization: Ritsumeikan University ## Contact agent ## Publisher organization: Royal Society of Chemistry ## Managing organization ## Keyword - subject: charge-segregated assembly schema: not_defined - subject: porphyrin Au complexes schema: not_defined - subject: ion pairs schema: not_defined ## Rights - identifier: https://creativecommons.org/licenses/by-nc/3.0/legalcode ## Other identifier(s) ## Data origin - data_origin_type: other ## Embargo ## Journal - title: CHEMICAL SCIENCE issn: '20416520' volume: '16' issue: '12' start_page: 4998 end_page: 5006 ## Conference ## Related item ## Funding - identifier: JP18H01968, JP22H02067, JP23K23335, JP19K05444, JP24K08389, JP20J22745, JP23K17951, JP20H05863 funder_name: JSPS - identifier: JPMJSP2101 funder_name: JST ## Instrument ## Instrument operator ## Instrument managing organization ## Measurement method ## Specimen ## Chemical composition ## Structure for specimen ## Structural feature for specimen ## Specific property for specimen ## Process for specimen treatment ## Computational method ## Energy level/transition state ## Software ## Custom property ## Fileset - id: 56abcb8c-b9bd-4f58-b912-64584d7d8ee5 filename: nakajima_250116c_rev.pdf content_type: application/pdf size: 1846952 md5: 339ca8621c6e5414ed97533813e196f4 ## Thumbnail fileset_id: 56abcb8c-b9bd-4f58-b912-64584d7d8ee5 filename: nakajima_250116c_rev.pdf