Modelling Assisted Design and Synthesis of Highly Porous Materials for Chemical Adsorbents

Abstract

A new family of metal organic framework materials was studied which relied on organophosphonate molecules as organic linkers between metal ion aggregates as connecting nodes. These materials could form new porous sorbents with the ability to tune the pore size, pore shape and the nature of the chemical functionalities lining the pores. Linear, trigonal and tetrahedral polyphosphonate molecules were studied as well as functionalized linear linkers, all of which were successful in producing new porous solids. Additionally, the use of a linear phosphonate mono ester as a linker was studied, the first use of such a compound in a metal organic framework. New organic linkers were characterized by 1H, 13C and 31P NMR spectroscopy as well as IR spectroscopy and elemental analyses. New network solids were characterized by powder and, when possible, single crystal X-ray diffraction as well as thermogravimetric analysis and gas sorption analyses. Several new families of new porous materials were developed which show promise for sorption of gaseous analytes.

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Document Details

Document Type
Technical Report
Publication Date
Oct 01, 2010
Accession Number
ADA547048

Entities

People

  • George Shimizu

Organizations

  • University of Calgary

Tags

Communities of Interest

  • Air Platforms
  • C4I
  • Energy and Power Technologies
  • Human Systems

DTIC Thesaurus Topics

  • Alkanes
  • Body Weight
  • Chemical Synthesis
  • Chemistry
  • Chlorides
  • Crystal Structure
  • Crystals
  • Diffraction
  • Materials
  • Organic Chemistry
  • Phosphonates
  • Porous Materials
  • Single Crystals
  • Sorption
  • Three Dimensional
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Materials science

Readers

  • Agricultural Chemistry/Soil Science
  • Analytical Chemistry
  • Organic Chemistry