{
  "abstract": "The synergy between solid-state NMR, a probe of local structure, and X-ray powder diffraction, a probe of long-range order, has been exploited to untangle the details of the structure of ITQ-1p, the layered precursor to the pure silica zeolite ITQ-1 (MWW framework type). Rietveld refinement of the structure using synchrotron powder diffraction data was guided by the results from a variety of solid-state NMR techniques, including two-dimensional (2D) 29 Si– 29 Si correlation spectra that resolve all eight Si sites, 2D 29 Si{ 1 H} and 13 C{ 1 H} correlation spectra that show a complicated distribution of hydrogen-bonded environments in the interlayer space, and a 1D 23 Na spectrum that indicates a nearly symmetrical environment around the Na + ions. The main features of the resulting structure are: MWW silicate layers with silanol nests at the interlayer surface, hexamethyleneimine (HMI) molecules in the intralayer channel and in the interlayer space, trimethylaminoadamantane ions (TMAda + ) in the \"pockets\" at the surface of the layer with the trimethylamino group pointing towards the interlayer space, and a Na + ion surrounded by a puckered ring of 3 water molecules and 3 OH – groups at the origin between the two TMAda+ ions in adjacent layers. This well-defined TMAda + -Na + (OH – ) 3 (H 2 O) 3 -TMAda + complex may well be the key to the unusually high crystallinity of ITQ-1p. Indeed, these structural details give considerable insight into the synthetic process, and provide a foundation for tailoring interlayer chemistry to realize specific catalytic features.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemical Engineering",
    "University of California",
    "Chemical Engineering, School for Engineering of Matter, Transport and Energy",
    "Arizona State University",
    "Department of Materials",
    "ETH Zurich"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 6,
  "authors": [
    {
      "affs": [
        0,
        1,
        2,
        3
      ],
      "name": "Zachariah J. Berkson",
      "orcid": "0000-0002-2157-4172"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Alyssa McNarney"
    },
    {
      "affs": [
        2,
        3
      ],
      "name": "Hardik K. Balsaraf"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Bradley F. Chmelka"
    },
    {
      "affs": [
        4,
        5
      ],
      "name": "Christian Baerlocher"
    },
    {
      "affs": [
        4,
        5
      ],
      "name": "Lynne B. McCusker"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/7g5dwxx65v78k.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008091/v1",
  "fulltext_url": null,
  "id": "7g5dwxx65v78k",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008091/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1604|Zeolite Catalysis and Synthesis"
    ]
  ],
  "openalex": "W7204772753",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008091/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-31",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/7g5dwxx65v78k.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:17Z",
      "native_id": "10.26434/chemrxiv.15008091",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008091/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1604|Zeolite Catalysis and Synthesis",
      "subfield": "inorganic"
    }
  ],
  "title": "Crystal structure of ITQ-1p, the pure-silica precursor to the zeolite ITQ-1 (MWW framework type)",
  "title_text": "Crystal structure of ITQ-1p, the pure-silica precursor to the zeolite ITQ-1 (MWW framework type)",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:17Z",
  "url": "https://research.draconitic.com/paper/7g5dwxx65v78k",
  "venue": "ChemRxiv",
  "versions": []
}