Theoretical study of ion/macrocycle interactions using both hybrid quantum mechanical-molecular mechanical and ab initio methods

PDF Version Also Available for Download.

Description

Synthetic macrocycles have drawn much experimental and theoretical interest since Pederson first synthesized the crown-ether 18-crown-6 (18c6) in 1967. Crown-ethers show a remarkable range of specificity for a wide variety of cations that depends, in part, on the size of the ether, the type of donor atoms (e.g. oxygen, nitrogen, sulfur), and the polarity of the solvent. Crown-ethers and related macrocycles are of particular interest to research efforts in chemical separations applied to environmental remediation. For example, at the Hanford nuclear facility {sup 9O}Sr{sup 2+} and {sup 137}Cs{sup +} are two major generators of heat which complicate the disposal of ... continued below

Physical Description

4 p.

Creation Information

Thompson, M.A.; Glendening, E.D.; Feller, D. & Kendall, R. August 1, 1995.

Context

This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Sponsor

Publisher

  • Pacific Northwest Laboratory
    Publisher Info: Pacific Northwest Lab., Richland, WA (United States)
    Place of Publication: Richland, Washington

Provided By

UNT Libraries Government Documents Department

Serving as both a federal and a state depository library, the UNT Libraries Government Documents Department maintains millions of items in a variety of formats. The department is a member of the FDLP Content Partnerships Program and an Affiliated Archive of the National Archives.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Description

Synthetic macrocycles have drawn much experimental and theoretical interest since Pederson first synthesized the crown-ether 18-crown-6 (18c6) in 1967. Crown-ethers show a remarkable range of specificity for a wide variety of cations that depends, in part, on the size of the ether, the type of donor atoms (e.g. oxygen, nitrogen, sulfur), and the polarity of the solvent. Crown-ethers and related macrocycles are of particular interest to research efforts in chemical separations applied to environmental remediation. For example, at the Hanford nuclear facility {sup 9O}Sr{sup 2+} and {sup 137}Cs{sup +} are two major generators of heat which complicate the disposal of nuclear waste. One example of the use of crown-ethers for radionuclide separation is the Strontium Extraction (SREX) process which uses di-t-butylcyclohexano-18-crown-6 for recovering {sup 9O}Sr{sup 2+} from acidic solution. A more thorough understanding of fundamental interactions of cation/crown-ether solution chemistry may provide the basis for rational design of new ligands useful in the separation of these and other radionuclides from radionuclide-containing waste streams at hazardous waste storage facilities. There is also a growing interest in the use of crown-ethers, cryptands, and other ligands for use in chemical sensors. Specifically, fluoroionophores, which consisting of a fluorophore (e.g. dye-molecule) linked to an ionophore (e.g. crown-ether), exhibit measurable changes in the photophysical properties of the fluorophore upon ion binding by the ionophore. Fluoroionophores would be useful for monitoring ground-water aquifers and industrial effluent streams for low-levels of hazardous radionuclides and other toxic metals.

Physical Description

4 p.

Notes

OSTI as DE96002635

Source

  • 210. national meeting of the American Chemical Society (ACS), Chicago, IL (United States), 20-25 Aug 1995

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

  • Other: DE96002635
  • Report No.: PNL-SA--26481
  • Report No.: CONF-950801--15
  • Grant Number: AC06-76RL01830
  • Office of Scientific & Technical Information Report Number: 192549
  • Archival Resource Key: ark:/67531/metadc667900

Collections

This article is part of the following collection of related materials.

Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • August 1, 1995

Added to The UNT Digital Library

  • June 29, 2015, 9:42 p.m.

Description Last Updated

  • April 7, 2016, 6:13 p.m.

Usage Statistics

When was this article last used?

Yesterday: 1
Past 30 days: 3
Total Uses: 9

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Thompson, M.A.; Glendening, E.D.; Feller, D. & Kendall, R. Theoretical study of ion/macrocycle interactions using both hybrid quantum mechanical-molecular mechanical and ab initio methods, article, August 1, 1995; Richland, Washington. (digital.library.unt.edu/ark:/67531/metadc667900/: accessed October 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.