• Home
  • Search Results
  • Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agents.

Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agents.

Angewandte Chemie (International ed. in English) (2014-06-26)
Joel E Schmidt, Michael W Deem, Mark E Davis
ABSTRACT

Crystalline molecular sieves are used in numerous applications, where the properties exploited for each technology are the direct consequence of structural features. New materials are typically discovered by trial and error, and in many cases, organic structure-directing agents (OSDAs) are used to direct their formation. Here, we report the first successful synthesis of a specified molecular sieve through the use of an OSDA that was predicted from a recently developed computational method that constructs chemically synthesizable OSDAs. Pentamethylimidazolium is computationally predicted to have the largest stabilization energy in the STW framework, and is experimentally shown to strongly direct the synthesis of pure-silica STW. Other OSDAs with lower stabilization energies did not form STW. The general method demonstrated here to create STW may lead to new, simpler OSDAs for existing frameworks and provide a way to predict OSDAs for desired, theoretical frameworks.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Imidazole, ACS reagent, ≥99% (titration)
Sigma-Aldrich
Iodomethane, purum, ≥99.0% (GC)
Sigma-Aldrich
Iodomethane, contains copper as stabilizer, ReagentPlus®, 99%
Sigma-Aldrich
Imidazole, for molecular biology, ≥99% (titration)
Sigma-Aldrich
Imidazole, ReagentPlus®, 99%
Sigma-Aldrich
Imidazole, puriss. p.a., ≥99.5% (GC)
Sigma-Aldrich
2-Iodopropane, contains copper as stabilizer, 99%
Sigma-Aldrich
Iodoethane, contains copper as stabilizer, ReagentPlus®, 99%
Sigma-Aldrich
Iodomethane, contains copper as stabilizer, ReagentPlus®, 99.5%
Sigma-Aldrich
Imidazole buffer Solution, BioUltra, 1 M in H2O
Sigma-Aldrich
Imidazole, BioUltra, ≥99.5% (GC)
Sigma-Aldrich
1-Iodopropane, 99%
Sigma-Aldrich
Imidazole, anhydrous, free-flowing, Redi-Dri, ACS reagent, ≥99%
Sigma-Aldrich
Imidazole, BioUltra, for molecular biology, ≥99.5% (GC)
Sigma-Aldrich
Iodomethane solution, 2.0 M in tert-butyl methyl ether, contains copper as stabilizer
Supelco
Imidazole, Pharmaceutical Secondary Standard; Certified Reference Material
Sigma-Aldrich
Imidazole, ≥99% (titration), crystalline
Supelco
Iodomethane solution, certified reference material, 2000 μg/mL in methanol: water (4:1)
USP
Imidazole, United States Pharmacopeia (USP) Reference Standard
Sigma-Aldrich
Imidazole, ReagentPlus®, 99%, Redi-Dri, free-flowing
Ondansetron impurity E, European Pharmacopoeia (EP) Reference Standard
Sigma-Aldrich
Imidazole, for molecular biology, ≥99% (titration), free-flowing, Redi-Dri
Imidazole, European Pharmacopoeia (EP) Reference Standard
Sigma-Aldrich
Iodomethane-12C, ≥99.9 atom % 12C, ≥99% (CP), contains copper as stabilizer