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NMR effective radius of hydrogen in XIV group hydrides evaluated by NMR spectroscopy.

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Title: NMR effective radius of hydrogen in XIV group hydrides evaluated by NMR spectroscopy.
Authors: Benedetti, M.1, De Castro, F.1, Ciccarese, A.1, Fanizzi, F. P.1
Source: Dalton Transactions: An International Journal of Inorganic Chemistry. 11/7/2017, Vol. 46 Issue 41, p14094-14097. 4p.
Subjects: Hydrogen bonding, Chemical shift (Nuclear magnetic resonance), Molecular structure, Charts, diagrams, etc.
Abstract: In the [ABrnIm] (A = C, Si, Ge, Sn; n + m = 4) compounds, with the heavier halides bonded to the central IV group elements, the experimental 13C, 29Si, 73Ge and 119Sn NMR chemical shifts of the central atoms were found to be strictly linearly proportional to the bonded halides ionic radii overall sum ∑(rh). Based on this, calibration lines relating the chemical shifts to ∑(rh) could be built for the considered subgroup of [ABrnIm] compounds. Using such calibration lines we could calculate the equivalent NMR radius, NMRrH–A, attributable to each of the bonded hydrogens in [AH4] species, according to the overall NMR shielding produced on the central A atom. Interestingly, the calculated NMRrH–A value resulted to be almost constant in all [AH4] examined systems (A = 13C, 29Si, 73Ge, 119Sn) with an average NMRr̅H–A value equal to 194.6 ± 1.6 pm. Based on this approach, we could calculate the 207Pb NMR chemical shift of the unstable [PbH4] complex using the value of 192.7 pm calculated for NMRrH–Sn in the stable closest hydride [SnH4]. The obtained unprecedented NMR value is in accord with the 207Pb NMR chemical shift estimation, independently calculated for [PbH4] from the [SnH4] data, using the Pb/Sn chemical shift correlation defined in the Mitchell equation. [ABSTRACT FROM AUTHOR]
Copyright of Dalton Transactions: An International Journal of Inorganic Chemistry is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: NMR effective radius of hydrogen in XIV group hydrides evaluated by NMR spectroscopy.
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  Data: <searchLink fieldCode="DE" term="%22Hydrogen+bonding%22">Hydrogen bonding</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+shift+%28Nuclear+magnetic+resonance%29%22">Chemical shift (Nuclear magnetic resonance)</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Charts%2C+diagrams%2C+etc%2E%22">Charts, diagrams, etc.</searchLink>
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  Data: In the [ABrnIm] (A = C, Si, Ge, Sn; n + m = 4) compounds, with the heavier halides bonded to the central IV group elements, the experimental 13C, 29Si, 73Ge and 119Sn NMR chemical shifts of the central atoms were found to be strictly linearly proportional to the bonded halides ionic radii overall sum ∑(rh). Based on this, calibration lines relating the chemical shifts to ∑(rh) could be built for the considered subgroup of [ABrnIm] compounds. Using such calibration lines we could calculate the equivalent NMR radius, NMRrH–A, attributable to each of the bonded hydrogens in [AH4] species, according to the overall NMR shielding produced on the central A atom. Interestingly, the calculated NMRrH–A value resulted to be almost constant in all [AH4] examined systems (A = 13C, 29Si, 73Ge, 119Sn) with an average NMRr̅H–A value equal to 194.6 ± 1.6 pm. Based on this approach, we could calculate the 207Pb NMR chemical shift of the unstable [PbH4] complex using the value of 192.7 pm calculated for NMRrH–Sn in the stable closest hydride [SnH4]. The obtained unprecedented NMR value is in accord with the 207Pb NMR chemical shift estimation, independently calculated for [PbH4] from the [SnH4] data, using the Pb/Sn chemical shift correlation defined in the Mitchell equation. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Dalton Transactions: An International Journal of Inorganic Chemistry is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1039/c7dt03348f
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      – SubjectFull: Molecular structure
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              Text: 11/7/2017
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