FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034169410> ?p ?o ?g. }

• W2034169410 endingPage "404" @default.
• W2034169410 startingPage "393" @default.
• W2034169410 abstract "A comprehensive set of Lewis acid-base adducts of silanes was investigated by means of the density functional theory geometry optimization [B3LYP/6−31G(d)], and thermochemical calculations, [B3LYP/6−311+G(2d,p)//B3LYP/6−31G(d)]. Complex formation was found to weaken Si−Cl and Si−Br bonds more than Si−F or Si−H bonds. Comparable distances between Si and a Lewis base L (L = NH3, OH2, F−) are shorter in hexa- than in pentacoordinated complexes. The molecular structures of the pentacoordinated Si complexes allowed for a mapping of an SN2 reaction pathway by correlating the lengths of the Si−X and Si−L bonds. Complex formation was found to be exothermic for most of the coordination compounds, and the analysis of the natural atomic charges revealed a high ionic character of the dative bonds. Formation of the anionic complexes and of SiH2X2(py)2 is most exothermic with X = Cl or Br and otherwise most exothermic with X = F. Only small enthalpy differences were found between the trans and cis configurations of SiF4(py)2. The standard free enthalpy of complex formation is negative only for complexes between halosilanes and F−, i.e. all other silane Lewis base adducts are thermodynamically unstable under standard conditions with respect to dissociation. It is inferred that the existence of some of the silicon complexes in the solid state or in solution is caused by stabilizing intermolecular forces, and silanes are classified as very weak Lewis acids. The thermochemistry of complex formation was analyzed in terms of molecular “floppyness” of the silanes and the energy of interaction between the deformed silane and the Lewis base. The enhanced complex stability of SiCl4(py)2 compared to SiH4(py)2 and of GeF4(NH3), [GeF5]− and [GeF6]2− compared to the analogues silane adducts does not result from a stronger Lewis acid base interaction but from an increased “floppyness” of SiCl4 and GeF4 compared to SiH4 and SiF4, respectively." @default.
• W2034169410 created "2016-06-24" @default.
• W2034169410 creator A5017277882 @default.
• W2034169410 date "2001-02-01" @default.
• W2034169410 modified "2023-10-10" @default.
• W2034169410 title "Molecular “Floppyness” and the Lewis Acidity of Silanes: A Density Functional Theory Study" @default.
• W2034169410 cites W1971275758 @default.
• W2034169410 cites W1971946198 @default.
• W2034169410 cites W1972651395 @default.
• W2034169410 cites W1987315161 @default.
• W2034169410 cites W1987446727 @default.
• W2034169410 cites W1989507723 @default.
• W2034169410 cites W1993900301 @default.
• W2034169410 cites W1998349130 @default.
• W2034169410 cites W2000731013 @default.
• W2034169410 cites W2009213847 @default.
• W2034169410 cites W2010964146 @default.
• W2034169410 cites W2015927048 @default.
• W2034169410 cites W2016279190 @default.
• W2034169410 cites W2017411304 @default.
• W2034169410 cites W2028083064 @default.
• W2034169410 cites W2031799087 @default.
• W2034169410 cites W2033846217 @default.
• W2034169410 cites W2035598896 @default.
• W2034169410 cites W2035634879 @default.
• W2034169410 cites W2038767330 @default.
• W2034169410 cites W2041601903 @default.
• W2034169410 cites W2045907852 @default.
• W2034169410 cites W2045910929 @default.
• W2034169410 cites W2049233943 @default.
• W2034169410 cites W2057080504 @default.
• W2034169410 cites W2060005748 @default.
• W2034169410 cites W2062266131 @default.
• W2034169410 cites W2068510053 @default.
• W2034169410 cites W2069213965 @default.
• W2034169410 cites W2069630861 @default.
• W2034169410 cites W2072417134 @default.
• W2034169410 cites W2109506856 @default.
• W2034169410 cites W2124047025 @default.
• W2034169410 cites W2132393432 @default.
• W2034169410 cites W2133192715 @default.
• W2034169410 cites W2143981217 @default.
• W2034169410 cites W2148941593 @default.
• W2034169410 cites W2174215792 @default.
• W2034169410 cites W2224726534 @default.
• W2034169410 cites W2343882789 @default.
• W2034169410 cites W2949465487 @default.
• W2034169410 cites W2951672535 @default.
• W2034169410 cites W2953090596 @default.
• W2034169410 cites W329048596 @default.
• W2034169410 doi "https://doi.org/10.1002/1099-0682(200102)2001:2<393::aid-ejic393>3.0.co;2-z" @default.
• W2034169410 hasPublicationYear "2001" @default.
• W2034169410 type Work @default.
• W2034169410 sameAs 2034169410 @default.
• W2034169410 citedByCount "43" @default.
• W2034169410 countsByYear W20341694102012 @default.
• W2034169410 countsByYear W20341694102013 @default.
• W2034169410 countsByYear W20341694102014 @default.
• W2034169410 countsByYear W20341694102015 @default.
• W2034169410 countsByYear W20341694102016 @default.
• W2034169410 countsByYear W20341694102017 @default.
• W2034169410 countsByYear W20341694102018 @default.
• W2034169410 countsByYear W20341694102019 @default.
• W2034169410 countsByYear W20341694102020 @default.
• W2034169410 countsByYear W20341694102021 @default.
• W2034169410 countsByYear W20341694102022 @default.
• W2034169410 countsByYear W20341694102023 @default.
• W2034169410 crossrefType "journal-article" @default.
• W2034169410 hasAuthorship W2034169410A5017277882 @default.
• W2034169410 hasConcept C108204754 @default.
• W2034169410 hasConcept C121332964 @default.
• W2034169410 hasConcept C145148216 @default.
• W2034169410 hasConcept C147368240 @default.
• W2034169410 hasConcept C147597530 @default.
• W2034169410 hasConcept C147789679 @default.
• W2034169410 hasConcept C152365726 @default.
• W2034169410 hasConcept C161790260 @default.
• W2034169410 hasConcept C163638829 @default.
• W2034169410 hasConcept C178790620 @default.
• W2034169410 hasConcept C185592680 @default.
• W2034169410 hasConcept C2182769 @default.
• W2034169410 hasConcept C2778024649 @default.
• W2034169410 hasConcept C2778183973 @default.
• W2034169410 hasConcept C29563950 @default.
• W2034169410 hasConcept C3288061 @default.
• W2034169410 hasConcept C45119746 @default.
• W2034169410 hasConcept C8010536 @default.
• W2034169410 hasConcept C97355855 @default.
• W2034169410 hasConceptScore W2034169410C108204754 @default.
• W2034169410 hasConceptScore W2034169410C121332964 @default.
• W2034169410 hasConceptScore W2034169410C145148216 @default.
• W2034169410 hasConceptScore W2034169410C147368240 @default.
• W2034169410 hasConceptScore W2034169410C147597530 @default.
• W2034169410 hasConceptScore W2034169410C147789679 @default.
• W2034169410 hasConceptScore W2034169410C152365726 @default.
• W2034169410 hasConceptScore W2034169410C161790260 @default.
• W2034169410 hasConceptScore W2034169410C163638829 @default.
• W2034169410 hasConceptScore W2034169410C178790620 @default.

• next