Matches in SemOpenAlex for { <https://semopenalex.org/work/W1968445164> ?p ?o ?g. }
- W1968445164 endingPage "297" @default.
- W1968445164 startingPage "285" @default.
- W1968445164 abstract "Donor–acceptor complexes X3P·BY3 (X, Y=Cl, Br, I) and their fragments have been studied using density functional (B3LYP) and ab initio methods (MP2, CCSD(T)) with effective core potentials. The bonding, charge transfer and structure of all X3P·BY3 is discussed on the basis of natural bond orbital (NBO) analysis. The estimated free molecular enthalpies of dissociation indicate that all X3P·BY3 represent thermodynamically labile species which are stabilized by the lattice energies in the solid state. The total distortion energy increases in accordance with the decreasing complex dissociation enthalpy. With regard to halogen exchange between the PX3 and BY3 moiety in X3P·BY3 (g) adducts, only the complexes where Y=X and where X represents a heavier halogen than Y are thermodynamically stable." @default.
- W1968445164 created "2016-06-24" @default.
- W1968445164 creator A5056409940 @default.
- W1968445164 creator A5075463608 @default.
- W1968445164 creator A5090232108 @default.
- W1968445164 date "2001-06-01" @default.
- W1968445164 modified "2023-10-14" @default.
- W1968445164 title "On the bonding, structure and thermodynamics of phosphorus halide boron halide complexes X 3 P·BY 3 (X, Y=Cl, Br, I)" @default.
- W1968445164 cites W1568048154 @default.
- W1968445164 cites W1972690179 @default.
- W1968445164 cites W1972738728 @default.
- W1968445164 cites W1974913268 @default.
- W1968445164 cites W1979945615 @default.
- W1968445164 cites W1987638438 @default.
- W1968445164 cites W1989485514 @default.
- W1968445164 cites W1993383767 @default.
- W1968445164 cites W1996337738 @default.
- W1968445164 cites W1997325498 @default.
- W1968445164 cites W2002603386 @default.
- W1968445164 cites W2002872624 @default.
- W1968445164 cites W2005877813 @default.
- W1968445164 cites W2007740462 @default.
- W1968445164 cites W2012354329 @default.
- W1968445164 cites W2020042245 @default.
- W1968445164 cites W2023271753 @default.
- W1968445164 cites W2030387747 @default.
- W1968445164 cites W2034429364 @default.
- W1968445164 cites W2034887381 @default.
- W1968445164 cites W2035408922 @default.
- W1968445164 cites W2038533471 @default.
- W1968445164 cites W2038767330 @default.
- W1968445164 cites W2043327592 @default.
- W1968445164 cites W2048364142 @default.
- W1968445164 cites W2051559441 @default.
- W1968445164 cites W2058544139 @default.
- W1968445164 cites W2060861092 @default.
- W1968445164 cites W2063565138 @default.
- W1968445164 cites W2072294305 @default.
- W1968445164 cites W2072748704 @default.
- W1968445164 cites W2076231220 @default.
- W1968445164 cites W2078851595 @default.
- W1968445164 cites W2084364298 @default.
- W1968445164 cites W2086957099 @default.
- W1968445164 cites W2087701541 @default.
- W1968445164 cites W2143981217 @default.
- W1968445164 cites W2148941593 @default.
- W1968445164 cites W2312895420 @default.
- W1968445164 cites W2313255320 @default.
- W1968445164 cites W2950087092 @default.
- W1968445164 cites W3011866573 @default.
- W1968445164 doi "https://doi.org/10.1016/s0166-1280(01)00365-7" @default.
- W1968445164 hasPublicationYear "2001" @default.
- W1968445164 type Work @default.
- W1968445164 sameAs 1968445164 @default.
- W1968445164 citedByCount "14" @default.
- W1968445164 countsByYear W19684451642012 @default.
- W1968445164 countsByYear W19684451642013 @default.
- W1968445164 countsByYear W19684451642014 @default.
- W1968445164 countsByYear W19684451642017 @default.
- W1968445164 countsByYear W19684451642021 @default.
- W1968445164 crossrefType "journal-article" @default.
- W1968445164 hasAuthorship W1968445164A5056409940 @default.
- W1968445164 hasAuthorship W1968445164A5075463608 @default.
- W1968445164 hasAuthorship W1968445164A5090232108 @default.
- W1968445164 hasConcept C102931765 @default.
- W1968445164 hasConcept C108204754 @default.
- W1968445164 hasConcept C115624301 @default.
- W1968445164 hasConcept C121332964 @default.
- W1968445164 hasConcept C130188946 @default.
- W1968445164 hasConcept C131468747 @default.
- W1968445164 hasConcept C147597530 @default.
- W1968445164 hasConcept C147789679 @default.
- W1968445164 hasConcept C152365726 @default.
- W1968445164 hasConcept C171560689 @default.
- W1968445164 hasConcept C178790620 @default.
- W1968445164 hasConcept C179104552 @default.
- W1968445164 hasConcept C185592680 @default.
- W1968445164 hasConcept C23029723 @default.
- W1968445164 hasConcept C26873012 @default.
- W1968445164 hasConcept C2779892579 @default.
- W1968445164 hasConcept C2780263894 @default.
- W1968445164 hasConcept C2781442258 @default.
- W1968445164 hasConcept C3288061 @default.
- W1968445164 hasConcept C46062151 @default.
- W1968445164 hasConcept C501308230 @default.
- W1968445164 hasConcept C62396407 @default.
- W1968445164 hasConcept C8010536 @default.
- W1968445164 hasConcept C97355855 @default.
- W1968445164 hasConceptScore W1968445164C102931765 @default.
- W1968445164 hasConceptScore W1968445164C108204754 @default.
- W1968445164 hasConceptScore W1968445164C115624301 @default.
- W1968445164 hasConceptScore W1968445164C121332964 @default.
- W1968445164 hasConceptScore W1968445164C130188946 @default.
- W1968445164 hasConceptScore W1968445164C131468747 @default.
- W1968445164 hasConceptScore W1968445164C147597530 @default.
- W1968445164 hasConceptScore W1968445164C147789679 @default.
- W1968445164 hasConceptScore W1968445164C152365726 @default.
- W1968445164 hasConceptScore W1968445164C171560689 @default.