FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2557811860> ?p ?o ?g. }

• W2557811860 abstract "A theoretical study of the CH···N hydrogen bond in the interactions of trihalomethanes CHX 3 (X = F, Cl, Br) with ammonia and its halogen derivatives NH 2 Y (Y = F, Cl, Br) has been carried out thoroughly. The complexes are quite stable, and their stability increases in going from CHF 3 to CHCl 3 then to CHBr 3 when Y keeps unchanged. With the same CHX 3 proton donor, enhancement of the gas phase basicity of NH 2 Y strengthens stability of the CHX 3 ···NH 2 Y complex. The CH···N hydrogen bond strength is directly proportional to the increase of proton affinity (PA) at N site of NH 2 Y and the decrease of deprotonation enthalpy (DPE) of CH bond in CHX 3 . The CHF 3 primarily appears to favor blue shift while the red‐shift is referred to the CHBr 3 . The blue‐ or red‐shift of CHCl 3 strongly depends on PA at N site of NH 2 Y. We suggest the ratio of DPE/PA as a factor to predict which type of hydrogen bond is observed upon complexation. The SAPT2+ results show that all CH···N interactions in the complexes are electrostatically driven regardless of the type of hydrogen bond, between 48% and 61% of the total attractive energy, and partly contributed by both induction and dispersion energies." @default.
• W2557811860 created "2016-12-08" @default.
• W2557811860 creator A5029896071 @default.
• W2557811860 creator A5035595520 @default.
• W2557811860 creator A5044593104 @default.
• W2557811860 creator A5062184716 @default.
• W2557811860 creator A5090662722 @default.
• W2557811860 date "2016-11-30" @default.
• W2557811860 modified "2023-10-16" @default.
• W2557811860 title "An insight into CH···N hydrogen bond and stability of the complexes formed by trihalomethanes with ammonia and its monohalogenated derivatives" @default.
• W2557811860 cites W1968903059 @default.
• W2557811860 cites W1969169061 @default.
• W2557811860 cites W1970434981 @default.
• W2557811860 cites W1972212280 @default.
• W2557811860 cites W1981111904 @default.
• W2557811860 cites W1983548297 @default.
• W2557811860 cites W1984892528 @default.
• W2557811860 cites W1989474096 @default.
• W2557811860 cites W2000011678 @default.
• W2557811860 cites W2008147411 @default.
• W2557811860 cites W2022366997 @default.
• W2557811860 cites W2022501702 @default.
• W2557811860 cites W2026033764 @default.
• W2557811860 cites W2032347347 @default.
• W2557811860 cites W2034516186 @default.
• W2557811860 cites W2038187498 @default.
• W2557811860 cites W2039346309 @default.
• W2557811860 cites W2039735251 @default.
• W2557811860 cites W2043798058 @default.
• W2557811860 cites W2046175756 @default.
• W2557811860 cites W2046529493 @default.
• W2557811860 cites W2047859988 @default.
• W2557811860 cites W2049281887 @default.
• W2557811860 cites W2050890227 @default.
• W2557811860 cites W2051469879 @default.
• W2557811860 cites W2051599371 @default.
• W2557811860 cites W2071098829 @default.
• W2557811860 cites W2073687211 @default.
• W2557811860 cites W2081068731 @default.
• W2557811860 cites W2087511633 @default.
• W2557811860 cites W2089962804 @default.
• W2557811860 cites W2090686804 @default.
• W2557811860 cites W2090757791 @default.
• W2557811860 cites W2090760763 @default.
• W2557811860 cites W2098311264 @default.
• W2557811860 cites W2104919283 @default.
• W2557811860 cites W2158567104 @default.
• W2557811860 cites W2167506261 @default.
• W2557811860 cites W2324514198 @default.
• W2557811860 cites W2333366840 @default.
• W2557811860 cites W2340933140 @default.
• W2557811860 cites W2412210998 @default.
• W2557811860 cites W4233828289 @default.
• W2557811860 cites W4233998925 @default.
• W2557811860 cites W4256127573 @default.
• W2557811860 cites W630452196 @default.
• W2557811860 doi "https://doi.org/10.1002/qua.25338" @default.
• W2557811860 hasPublicationYear "2016" @default.
• W2557811860 type Work @default.
• W2557811860 sameAs 2557811860 @default.
• W2557811860 citedByCount "8" @default.
• W2557811860 countsByYear W25578118602017 @default.
• W2557811860 countsByYear W25578118602019 @default.
• W2557811860 countsByYear W25578118602020 @default.
• W2557811860 countsByYear W25578118602021 @default.
• W2557811860 countsByYear W25578118602022 @default.
• W2557811860 crossrefType "journal-article" @default.
• W2557811860 hasAuthorship W2557811860A5029896071 @default.
• W2557811860 hasAuthorship W2557811860A5035595520 @default.
• W2557811860 hasAuthorship W2557811860A5044593104 @default.
• W2557811860 hasAuthorship W2557811860A5062184716 @default.
• W2557811860 hasAuthorship W2557811860A5090662722 @default.
• W2557811860 hasConcept C112887158 @default.
• W2557811860 hasConcept C118629725 @default.
• W2557811860 hasConcept C120665830 @default.
• W2557811860 hasConcept C121332964 @default.
• W2557811860 hasConcept C126061179 @default.
• W2557811860 hasConcept C145148216 @default.
• W2557811860 hasConcept C155647269 @default.
• W2557811860 hasConcept C177562468 @default.
• W2557811860 hasConcept C178790620 @default.
• W2557811860 hasConcept C179104552 @default.
• W2557811860 hasConcept C185424724 @default.
• W2557811860 hasConcept C185544564 @default.
• W2557811860 hasConcept C185592680 @default.
• W2557811860 hasConcept C23029723 @default.
• W2557811860 hasConcept C2776382133 @default.
• W2557811860 hasConcept C2780263894 @default.
• W2557811860 hasConcept C30095370 @default.
• W2557811860 hasConcept C3288061 @default.
• W2557811860 hasConcept C32909587 @default.
• W2557811860 hasConcept C46062151 @default.
• W2557811860 hasConcept C512968161 @default.
• W2557811860 hasConcept C53323650 @default.
• W2557811860 hasConcept C54516573 @default.
• W2557811860 hasConcept C62520636 @default.
• W2557811860 hasConcept C8010536 @default.
• W2557811860 hasConcept C93282013 @default.
• W2557811860 hasConcept C97355855 @default.
• W2557811860 hasConceptScore W2557811860C112887158 @default.

• next