Unprecedented topological complexity in a metal–organic framework constructed from simple building units

DOI: 10.1021/jacs.5b12484

Authors: A. Ken Inge (University of Kiel) , Milan Köppen (University of Kiel) , Jie Su (Stockholm University) , Mark Feyand (University of Kiel) , Hongyi Xu (Stockholm University) , Xiaodong Zou (Stockholm University) , Michael O'Keeffe (Arizona State University) , Norbert Stock (University of Kiel)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 138 , PAGES 1970–1976

State: Published (Approved)
Published: January 2016
Diamond Proposal Number(s): 10379

Abstract: A bismuth-based metal–organic framework (MOF), [Bi(BTC)(H2O)]·2H2O·MeOH denoted CAU-17, was synthesized and found to have an exceptionally complicated structure with helical Bi–O rods cross-linked by 1,3,5-benzenetricarboxylate (BTC3–) ligands. Five crystallographically independent 1D channels including two hexagonal channels, two rectangular channels, and one triangular channel have accessible diameters of 9.6, 9.6, 3.6, 3.6, and 3.4 Å, respectively. The structure is further complicated by twinning. Rod-incorporated MOF structures typically have underlying nets with only one unique node and three or four unique edges. In contrast, topological analysis of CAU-17 revealed unprecedented complexity for a MOF structure with 54 unique nodes and 135 edges. The complexity originates from the rod packing and the rods themselves, which are related to aperiodic helices.

Journal Keywords: Group theory; Crystallography; Crystal structure; Metal organic frameworks; Cations

Subject Areas: Chemistry, Materials


Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 02/02/2016 15:36

Discipline Tags:

Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)