Structure Solution from Powder Diffraction of Copper 1,4‐Benzenedicarboxylate

Abstract

In the synthesis of the microporous metal-organic framework copper 1,4-benzenedicarboxylate [Cu(BDC)], solvent exchange with methanol prior to recrystallization lowers the desolvation temperature to 160°C and produces more crystalline Cu(BDC). The solution to the crystal structure of Cu(BDC) has been determined by using ab initio quantum molecular calculations and refinement with synchrotron Xray powder diffraction data. This solution is in the P1 space group with a = 5.25 Å, b = 9.67 Å, c = 10.77 Å, α = 90.29°, β = 91.06°, γ = 92.413°, and V = 546.04 Å 3 . The Brunauer-

2D Oligosilyl Metal–Organic Frameworks as Multi‐state Switchable Materials

“…In the IR spectra of desolvated Cu(lin‐Si 2 ) in Figure S13, a new asymmetric COO peak appears at 1572 cm −1 . A similar phenomenon has been observed upon heating the analogous CuBDC (and related paddlewheel MOFs) where the IR feature is attributed to a new asymmetric COO stretch . In the case of CuBDC, the open axial metal sites associate with oxygen atoms in carboxyl groups of neighboring paddlewheels.…”

In Situ Atomic/Molecular Layer-by-Layer Deposition of Inorganic–Organic Coordination Network Thin Films from Gaseous Precursors

“…Therefore they are actively investigated for a variety of frontier applications. [1][2][3][4][5][6][7][8][9][10][11][12][13][14] In many prospective applications of these materials highquality thin films deposited on a specific substrate surface with a precise thickness control and chemisorption-type adhesion would be required. Thin crystalline hybrid films have been deposited using various solution and self-assembledmonolayer methods.…”

Atomic/molecular layer deposition: a direct gas-phase route to crystalline metal–organic framework thin films

“…fuel cells and other next-generation energy technologies. [5][6][7][8] Many of the future applications would require the MOF materials in thinfilm form, though.…”