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14N, 13C, and 119Sn...
14N, 13C, and 119Sn solid-state NMR characterization of tin(II) carbodiimide Sn(NCN)
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- Jaworski, Aleksander (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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- Piątek, Jędrzej (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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Mereacre, Liuda (author)
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Braun, Cordula (author)
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- Slabon, Adam (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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(creator_code:org_t)
- 2021-09-29
- 2021
- English.
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In: Zeitschrift für Naturforschung. B, A journal of chemical sciences. - : Walter de Gruyter GmbH. - 0932-0776 .- 1865-7117. ; 76:10-12, s. 745-750
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Abstract
Subject headings
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- We report the first magic-angle spinning (MAS) nuclear magnetic resonance (NMR) study on Sn(NCN). In this compound the spatially elongated (NCN)(2)- ion is assumed to develop two distinct forms: either cyanamide (NEC-N2-) or carbodiimide (N-=C=N-). Our N-14 MAS NMR results reveal that in Sn(NCN) the (NCN)(2-) groups exist exclusively in the form of symmetric carbodiimide ions with two equivalent nitrogen sites, which is in agreement with the X-ray diffraction data. The N-14 quadrupolar coupling constant vertical bar C-Q vertical bar approximate to 1.1 MHz for the N-=C=N- ion in Sn(NCN) is low when compared to those observed in molecular compounds that comprise cyano-type N C- moieties (vertical bar C-Q vertical bar > 3.5 MHz). This together with the information from N-14 and C-13 chemical shifts indicates that solid-state NMR is a powerful tool for providing atomic-level insights into anion species present in these compounds. The experimental NMR results are corroborated by high-level calculations with quantum chemistry methods.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- DLPNO-CCSD
- DSD-PBEP86
- N-14 MAS NMR
- SnCN2
- Sn-119 MAS NMR
Publication and Content Type
- ref (subject category)
- art (subject category)
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