FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2097622028> ?p ?o ?g. }

• W2097622028 endingPage "763" @default.
• W2097622028 startingPage "754" @default.
• W2097622028 abstract "The group 2 metal halides and corresponding metal halide hydrates serve as useful model systems for understanding the relationship between the electric field gradient (EFG) and chemical shift (CS) tensors at the halogen nuclei and the local molecular and electronic structure. Here, we present a 35/37 Cl and 43 Ca solid-state nuclear magnetic resonance (SSNMR) study of CaCl 2 . The 35 Cl nuclear quadrupole coupling constant, 8.82(8) MHz, and the isotropic chlorine CS, 105(8) ppm (with respect to dilute NaCl(aq)), are different from the values reported previously for this compound, as well as those reported for CaCl 2 ·2H 2 O. Chlorine-35 SSNMR spectra are also presented for CaCl 2 ·6H 2 O, and when taken in concert, the SSNMR observations for CaCl 2 , CaCl 2 ·2H 2 O, and CaCl 2 ·6H 2 O clearly demonstrate the sensitivity of the chlorine EFG and CS tensors to the local symmetry and to changes in the hydration state. For example, the value of δ iso decreases with increasing hydration. Gauge-including projector-augmented wave (GIPAW) density functional theory (DFT) calculations are used to substantiate the experimental SSNMR findings, to rule out the presence of other hydrates in our samples, to refine the hydrogen positions in CaCl 2 ·2H 2 O, and to explore the isostructural relationship between CaCl 2 and CaBr 2 . Finally, the 43 Ca CS tensor span is measured to be 31(5) ppm for anhydrous CaCl 2 , which represents only the fifth CS tensor span measurement for calcium." @default.
• W2097622028 created "2016-06-24" @default.
• W2097622028 creator A5037264117 @default.
• W2097622028 creator A5038369681 @default.
• W2097622028 date "2011-07-01" @default.
• W2097622028 modified "2023-10-05" @default.
• W2097622028 title "A multinuclear solid-state magnetic resonance and GIPAW DFT study of anhydrous calcium chloride and its hydrates" @default.
• W2097622028 cites W1497511236 @default.
• W2097622028 cites W176051247 @default.
• W2097622028 cites W1976809927 @default.
• W2097622028 cites W1977779694 @default.
• W2097622028 cites W1981368803 @default.
• W2097622028 cites W1984700305 @default.
• W2097622028 cites W1996689755 @default.
• W2097622028 cites W1997639109 @default.
• W2097622028 cites W1998866028 @default.
• W2097622028 cites W2000697145 @default.
• W2097622028 cites W2002168846 @default.
• W2097622028 cites W2005716802 @default.
• W2097622028 cites W2006953502 @default.
• W2097622028 cites W2007753850 @default.
• W2097622028 cites W2008274927 @default.
• W2097622028 cites W2010180484 @default.
• W2097622028 cites W2015548249 @default.
• W2097622028 cites W2016842299 @default.
• W2097622028 cites W2016879086 @default.
• W2097622028 cites W2016938041 @default.
• W2097622028 cites W2018110356 @default.
• W2097622028 cites W2023738724 @default.
• W2097622028 cites W2026195773 @default.
• W2097622028 cites W2027984655 @default.
• W2097622028 cites W2034847527 @default.
• W2097622028 cites W2035137788 @default.
• W2097622028 cites W2036113194 @default.
• W2097622028 cites W2037329197 @default.
• W2097622028 cites W2039035643 @default.
• W2097622028 cites W2040603228 @default.
• W2097622028 cites W2047454965 @default.
• W2097622028 cites W2054704030 @default.
• W2097622028 cites W2056702184 @default.
• W2097622028 cites W2058877202 @default.
• W2097622028 cites W2060554013 @default.
• W2097622028 cites W2061988115 @default.
• W2097622028 cites W2065344062 @default.
• W2097622028 cites W2070658590 @default.
• W2097622028 cites W2070668052 @default.
• W2097622028 cites W2070828407 @default.
• W2097622028 cites W2074023707 @default.
• W2097622028 cites W2079006833 @default.
• W2097622028 cites W2079272145 @default.
• W2097622028 cites W2081101895 @default.
• W2097622028 cites W2082259056 @default.
• W2097622028 cites W2087125332 @default.
• W2097622028 cites W2087471605 @default.
• W2097622028 cites W2087585288 @default.
• W2097622028 cites W2092976219 @default.
• W2097622028 cites W2093658322 @default.
• W2097622028 cites W2093701721 @default.
• W2097622028 cites W2095472344 @default.
• W2097622028 cites W2098888699 @default.
• W2097622028 cites W2100232465 @default.
• W2097622028 cites W2109877650 @default.
• W2097622028 cites W2113158980 @default.
• W2097622028 cites W2117894566 @default.
• W2097622028 cites W2122287823 @default.
• W2097622028 cites W2122687281 @default.
• W2097622028 cites W2134852066 @default.
• W2097622028 cites W2136376960 @default.
• W2097622028 cites W2138797743 @default.
• W2097622028 cites W2150133463 @default.
• W2097622028 cites W2154169012 @default.
• W2097622028 cites W2157656764 @default.
• W2097622028 cites W2159215707 @default.
• W2097622028 cites W2159752439 @default.
• W2097622028 cites W2161584951 @default.
• W2097622028 cites W2163491176 @default.
• W2097622028 cites W2165197068 @default.
• W2097622028 cites W2166678013 @default.
• W2097622028 cites W2294326086 @default.
• W2097622028 cites W2596553096 @default.
• W2097622028 cites W2951846079 @default.
• W2097622028 cites W3206606417 @default.
• W2097622028 cites W4232203687 @default.
• W2097622028 cites W4249094795 @default.
• W2097622028 doi "https://doi.org/10.1139/v11-009" @default.
• W2097622028 hasPublicationYear "2011" @default.
• W2097622028 type Work @default.
• W2097622028 sameAs 2097622028 @default.
• W2097622028 citedByCount "19" @default.
• W2097622028 countsByYear W20976220282012 @default.
• W2097622028 countsByYear W20976220282013 @default.
• W2097622028 countsByYear W20976220282014 @default.
• W2097622028 countsByYear W20976220282015 @default.
• W2097622028 countsByYear W20976220282016 @default.
• W2097622028 countsByYear W20976220282017 @default.
• W2097622028 countsByYear W20976220282019 @default.
• W2097622028 countsByYear W20976220282020 @default.
• W2097622028 countsByYear W20976220282021 @default.

• next