Matches in SemOpenAlex for { <https://semopenalex.org/work/W3182080876> ?p ?o ?g. }
- W3182080876 endingPage "1862" @default.
- W3182080876 startingPage "1857" @default.
- W3182080876 abstract "Some nitrile-boron halide adducts exhibit a double-well potential energy surface with two distinct minima: a long bond geometry (LB, a van der Waals interaction mostly based on electrostatics, but including a residual charge transfer component) and a short bond structure (SB, a covalent dative bond). This behavior can be considered as a weak form of bond stretch isomerism. Our computations reveal that complexes RCN-BX3 (R=CH3 , FCH2 , BrCH2 , and X=Cl, Br) exhibit a fast interconversion from LB to SB geometries even close to the absolute zero thanks to a boron atom tunneling mechanism. The computed half-lives of the meta-stable LB compounds vary between minutes to nanoseconds at cryogenic conditions. Accordingly, we predict that the long bond structures are practically impossible to isolate or characterize, which agrees with previous matrix-isolation experiments." @default.
- W3182080876 created "2021-07-19" @default.
- W3182080876 creator A5001981673 @default.
- W3182080876 creator A5010387708 @default.
- W3182080876 creator A5030099003 @default.
- W3182080876 creator A5042210822 @default.
- W3182080876 creator A5083411946 @default.
- W3182080876 creator A5085821264 @default.
- W3182080876 date "2021-08-06" @default.
- W3182080876 modified "2023-09-23" @default.
- W3182080876 title "Boron Tunneling in the “Weak” Bond‐Stretch Isomerization of N−B Lewis Adducts" @default.
- W3182080876 cites W1512716428 @default.
- W3182080876 cites W1854372239 @default.
- W3182080876 cites W1861331806 @default.
- W3182080876 cites W1925589081 @default.
- W3182080876 cites W1968489166 @default.
- W3182080876 cites W1971584827 @default.
- W3182080876 cites W1977646470 @default.
- W3182080876 cites W1984797776 @default.
- W3182080876 cites W1994360945 @default.
- W3182080876 cites W1995825925 @default.
- W3182080876 cites W1997607907 @default.
- W3182080876 cites W1999955760 @default.
- W3182080876 cites W2011754505 @default.
- W3182080876 cites W2013032090 @default.
- W3182080876 cites W2013732865 @default.
- W3182080876 cites W2014377229 @default.
- W3182080876 cites W2016204572 @default.
- W3182080876 cites W2017978581 @default.
- W3182080876 cites W2021780425 @default.
- W3182080876 cites W2022517295 @default.
- W3182080876 cites W2026695534 @default.
- W3182080876 cites W2033597735 @default.
- W3182080876 cites W2034887381 @default.
- W3182080876 cites W2036618001 @default.
- W3182080876 cites W2038767330 @default.
- W3182080876 cites W2041610683 @default.
- W3182080876 cites W2042978320 @default.
- W3182080876 cites W2049233943 @default.
- W3182080876 cites W2053425921 @default.
- W3182080876 cites W2059102492 @default.
- W3182080876 cites W2060108723 @default.
- W3182080876 cites W2061773711 @default.
- W3182080876 cites W2067333862 @default.
- W3182080876 cites W2071321828 @default.
- W3182080876 cites W2083276402 @default.
- W3182080876 cites W2089044568 @default.
- W3182080876 cites W2089155126 @default.
- W3182080876 cites W2089183378 @default.
- W3182080876 cites W2090491384 @default.
- W3182080876 cites W2097595210 @default.
- W3182080876 cites W2105847134 @default.
- W3182080876 cites W2116373706 @default.
- W3182080876 cites W2118211884 @default.
- W3182080876 cites W2126952850 @default.
- W3182080876 cites W2136740716 @default.
- W3182080876 cites W2139860246 @default.
- W3182080876 cites W2141154798 @default.
- W3182080876 cites W2148159466 @default.
- W3182080876 cites W2150345533 @default.
- W3182080876 cites W2150697053 @default.
- W3182080876 cites W2166198169 @default.
- W3182080876 cites W2171705924 @default.
- W3182080876 cites W2174049999 @default.
- W3182080876 cites W2297976357 @default.
- W3182080876 cites W2319326949 @default.
- W3182080876 cites W2320540421 @default.
- W3182080876 cites W2326059688 @default.
- W3182080876 cites W2479362380 @default.
- W3182080876 cites W2561192024 @default.
- W3182080876 cites W2594548744 @default.
- W3182080876 cites W2609987954 @default.
- W3182080876 cites W2736178248 @default.
- W3182080876 cites W2761834901 @default.
- W3182080876 cites W2768625079 @default.
- W3182080876 cites W2885683734 @default.
- W3182080876 cites W2945327747 @default.
- W3182080876 cites W2948511388 @default.
- W3182080876 cites W2998891319 @default.
- W3182080876 cites W3000308816 @default.
- W3182080876 cites W3015850690 @default.
- W3182080876 cites W3033237899 @default.
- W3182080876 cites W3087926907 @default.
- W3182080876 cites W3088820661 @default.
- W3182080876 cites W3089733132 @default.
- W3182080876 cites W3105705554 @default.
- W3182080876 cites W3130700756 @default.
- W3182080876 cites W3172275094 @default.
- W3182080876 cites W4231868045 @default.
- W3182080876 cites W4292404993 @default.
- W3182080876 doi "https://doi.org/10.1002/cphc.202100505" @default.
- W3182080876 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34245098" @default.
- W3182080876 hasPublicationYear "2021" @default.
- W3182080876 type Work @default.
- W3182080876 sameAs 3182080876 @default.
- W3182080876 citedByCount "3" @default.
- W3182080876 countsByYear W31820808762022 @default.
- W3182080876 crossrefType "journal-article" @default.