Article

 

Solution structural characterization of an array of nanoscale aqueous inorganic Ga₁₃₋[subscript]xIn[subscript]x (0 ≤ x ≤ 6) clusters by ¹H-NMR and QM computations Public Deposited

https://ir.library.oregonstate.edu/concern/articles/wm117t180

This is the publisher’s final pdf. The published article is copyrighted by Royal Society of Chemistry and can be found at:  http://pubs.rsc.org/en/Journals/JournalIssues/SC#!recentarticles&adv

Descriptions

Attribute NameValues
Alternative Title
Creator
Abstract
  • NMR spectroscopy is the go-to technique for determining the solution structures of organic, organometallic, and even macromolecular species. However, structure determination of nanoscale aqueous inorganic clusters by NMR spectroscopy remains an unexplored territory. The few hydroxobridged inorganic species well characterized by ¹H Nuclear Magnetic Resonance spectroscopy (¹H-NMR) do not provide enough information for signal assignment and prediction of new samples. ¹H-NMR and quantum mechanical (QM) computations were used to characterize the NMR spectra of the entire array of inorganic flat-Ga₁₃-[subscript]xIn[subscript]x (0 ≤ x ≤ 6) nanoscale clusters in solution. A brief review of the known signals for μ₂-OH and μ₃-OH bridges gives expected ranges for certain types of protons, but does not give enough information for exact peak assignment. Integration values and NOESY data were used to assign the peaks of several cluster species with simple ¹H-NMR spectra. Computations agree with these hydroxide signal assignments and allow for assignment of the complex spectra arising from the remaining cluster species. This work shows that ¹H-NMR spectroscopy provides a variety of information about the solution behavior of inorganic species previously thought to be inaccessible by NMR due to fast ligand and/or proton exchange in wet solvents.
License
Resource Type
DOI
Date Available
Date Issued
Citation
  • Oliveri, A. F., Wills, L. A., Hazlett, C. R., Carnes, M. E., Chang, I. Y., Cheong, P. H. Y., & Johnson, D. W. (2015). Solution structural characterization of an array of nanoscale aqueous inorganic Ga₁₃-[subscript]xIn[subscript]x (0 ≤ x ≤ 6) clusters by ¹H-NMR and QM computations. Chemical Science, 6(7), 4071-4085. doi:10.1039/c5sc00776c
Journal Title
Journal Volume
  • 6
Journal Issue/Number
  • 7
Rights Statement
Funding Statement (additional comments about funding)
  • This work was generously supported by the NSF Center for Sustainable Materials Chemistry (CHE-1102637). University of Oregon NMR facilities are supported by NSF CHE-0923589. DWJ is a Scialog Fellow of Research Corporation for Science Advancement and gratefully acknowledges additional support provided to assist this project. PHYC is the Vicki & Patrick F. Stone Scholar of Oregon State University and gratefully acknowledges financial support.
Publisher
Peer Reviewed
Language
Replaces
Additional Information
  • description.provenance : Approved for entry into archive by Patricia Black(patricia.black@oregonstate.edu) on 2016-01-06T15:19:00Z (GMT) No. of bitstreams: 3 license_rdf: 1379 bytes, checksum: da3654ba11642cda39be2b66af335aae (MD5) WillsLindsayChemistrySolutionStructuralCharacterization.pdf: 1776045 bytes, checksum: 8577c99af2e0dc37c63a8526212685d3 (MD5) WillsLindsayChemistrySolutionStructuralCharacterization(SupplementaryInfo).pdf: 718758 bytes, checksum: a4e6e77e94482d84504f74b02bb36fd8 (MD5)
  • description.provenance : Submitted by Patricia Black (patricia.black@oregonstate.edu) on 2016-01-06T15:18:22Z No. of bitstreams: 3 license_rdf: 1379 bytes, checksum: da3654ba11642cda39be2b66af335aae (MD5) WillsLindsayChemistrySolutionStructuralCharacterization.pdf: 1776045 bytes, checksum: 8577c99af2e0dc37c63a8526212685d3 (MD5) WillsLindsayChemistrySolutionStructuralCharacterization(SupplementaryInfo).pdf: 718758 bytes, checksum: a4e6e77e94482d84504f74b02bb36fd8 (MD5)
  • description.provenance : Made available in DSpace on 2016-01-06T15:19:00Z (GMT). No. of bitstreams: 3 license_rdf: 1379 bytes, checksum: da3654ba11642cda39be2b66af335aae (MD5) WillsLindsayChemistrySolutionStructuralCharacterization.pdf: 1776045 bytes, checksum: 8577c99af2e0dc37c63a8526212685d3 (MD5) WillsLindsayChemistrySolutionStructuralCharacterization(SupplementaryInfo).pdf: 718758 bytes, checksum: a4e6e77e94482d84504f74b02bb36fd8 (MD5) Previous issue date: 2015

Relationships

Parents:

This work has no parents.

Items