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

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

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  • Solution structural characterization of an array of nanoscale aqueous inorganic Ga13-xInx (0 <= x <= 6) clusters by H-1-NMR and QM computations
  • Solution structural characterization of an array of nanoscale aqueous inorganic Ga13−xInx (0 ≤ x ≤ 6) clusters by 1H-NMR and QM computations
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  • 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.
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  • 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
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  • 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)
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  • 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

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