FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2313380589> ?p ?o ?g. }

• W2313380589 endingPage "1410" @default.
• W2313380589 startingPage "1402" @default.
• W2313380589 abstract "Density functional theory calculations have been performed for the terminal borylene, alylene, and gallylene complexes [(η5-C5H5)(CO)3M(ENR2)] (M = V, Nb; E = B, Al, Ga; R = CH3, SiH3, CMe3, SiMe3) using the exchange correlation functional BP86. The calculated geometry parameters of vanadium borylene complex [(η5-C5H5)(CO)3V{BN(SiMe3)2}] are in excellent agreement with their available experimental values. The M−B bonds in the borylene complexes have partial M−B double-bond character, and the B−N bonds are nearly B═N double bonds. On the other hand, the M−E bonds in the studied metal alylene and gallylene complexes represent M−E single bonds with a very small M−E π-orbital contribution, and the Al−N and Ga−N bonds in the complexes have partial double-bond character. The orbital interactions between metal and ENR2 in [(η5-C5H5)(CO)3M(ENR2)] arise mainly from M ← ENR2 σ donation. The π-bonding contribution is, in all complexes, much smaller. The contributions of the electrostatic interactions ΔEelstat are significantly larger in all borylene, alylene, and gallylene complexes than the covalent bonding ΔEorb; that is, the M−ENR2 bonding in the complexes has a greater degree of ionic character." @default.
• W2313380589 created "2016-06-24" @default.
• W2313380589 creator A5000002654 @default.
• W2313380589 creator A5038029240 @default.
• W2313380589 creator A5078141702 @default.
• W2313380589 date "2010-12-28" @default.
• W2313380589 modified "2023-10-12" @default.
• W2313380589 title "Nature of Bonding in Terminal Borylene, Alylene, and Gallylene Complexes of Vanadium and Niobium [(η⁵-C₅H₅)(CO)₃M(ENR₂)] (M = V, Nb; E = B, Al, Ga; R = CH₃, SiH₃, CMe₃, SiMe₃): A DFT Study" @default.
• W2313380589 cites W1826233890 @default.
• W2313380589 cites W1964692381 @default.
• W2313380589 cites W1964830010 @default.
• W2313380589 cites W1966938238 @default.
• W2313380589 cites W1969315138 @default.
• W2313380589 cites W1970900112 @default.
• W2313380589 cites W1977646470 @default.
• W2313380589 cites W1983794742 @default.
• W2313380589 cites W1983864990 @default.
• W2313380589 cites W1985726717 @default.
• W2313380589 cites W1989287338 @default.
• W2313380589 cites W1989540267 @default.
• W2313380589 cites W1989997572 @default.
• W2313380589 cites W1992053442 @default.
• W2313380589 cites W1997664436 @default.
• W2313380589 cites W1998088400 @default.
• W2313380589 cites W1999579378 @default.
• W2313380589 cites W2001937590 @default.
• W2313380589 cites W2005914793 @default.
• W2313380589 cites W2006160165 @default.
• W2313380589 cites W2008200767 @default.
• W2313380589 cites W2012812868 @default.
• W2313380589 cites W2022141007 @default.
• W2313380589 cites W2022955460 @default.
• W2313380589 cites W2026418911 @default.
• W2313380589 cites W2027382746 @default.
• W2313380589 cites W2028233051 @default.
• W2313380589 cites W2031298697 @default.
• W2313380589 cites W2032494109 @default.
• W2313380589 cites W2038767330 @default.
• W2313380589 cites W2040082220 @default.
• W2313380589 cites W2042518706 @default.
• W2313380589 cites W2042944554 @default.
• W2313380589 cites W2043693767 @default.
• W2313380589 cites W2045045577 @default.
• W2313380589 cites W2045115470 @default.
• W2313380589 cites W2045875363 @default.
• W2313380589 cites W2050889869 @default.
• W2313380589 cites W2055230539 @default.
• W2313380589 cites W2055770627 @default.
• W2313380589 cites W2057790034 @default.
• W2313380589 cites W2066433440 @default.
• W2313380589 cites W2066850164 @default.
• W2313380589 cites W2067674643 @default.
• W2313380589 cites W2069751879 @default.
• W2313380589 cites W2073416639 @default.
• W2313380589 cites W2075070173 @default.
• W2313380589 cites W2077138204 @default.
• W2313380589 cites W2080506484 @default.
• W2313380589 cites W2083295132 @default.
• W2313380589 cites W2083630140 @default.
• W2313380589 cites W2083713126 @default.
• W2313380589 cites W2084931305 @default.
• W2313380589 cites W2086383947 @default.
• W2313380589 cites W2086922492 @default.
• W2313380589 cites W2087919641 @default.
• W2313380589 cites W2090646068 @default.
• W2313380589 cites W2092014431 @default.
• W2313380589 cites W2092456326 @default.
• W2313380589 cites W2093603901 @default.
• W2313380589 cites W2095374362 @default.
• W2313380589 cites W2102449748 @default.
• W2313380589 cites W2108446403 @default.
• W2313380589 cites W2109737191 @default.
• W2313380589 cites W2114360736 @default.
• W2313380589 cites W2118979819 @default.
• W2313380589 cites W2119870101 @default.
• W2313380589 cites W2124514162 @default.
• W2313380589 cites W2126952850 @default.
• W2313380589 cites W2131238373 @default.
• W2313380589 cites W2138079813 @default.
• W2313380589 cites W2146727563 @default.
• W2313380589 cites W2147943345 @default.
• W2313380589 cites W2153368439 @default.
• W2313380589 cites W2156851456 @default.
• W2313380589 cites W2165603227 @default.
• W2313380589 cites W2168542043 @default.
• W2313380589 cites W2328232910 @default.
• W2313380589 cites W2338378669 @default.
• W2313380589 cites W2949984959 @default.
• W2313380589 cites W2951936599 @default.
• W2313380589 cites W2953150556 @default.
• W2313380589 cites W4247160426 @default.
• W2313380589 cites W4255389013 @default.
• W2313380589 doi "https://doi.org/10.1021/ic1019718" @default.
• W2313380589 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21188983" @default.
• W2313380589 hasPublicationYear "2010" @default.
• W2313380589 type Work @default.
• W2313380589 sameAs 2313380589 @default.
• W2313380589 citedByCount "29" @default.

• next