About: Two isomeric phosphacarboranes 2,1- and 6,1-PCB8H9, the first representatives of the 10-vertex closo phosphacarborane series.     Goto   Sponge   NotDistinct   Permalink

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  • The reaction between arachno-4-CB8H14 and PCl3 in the presence of PS (PS = proton sponge = 1,8-dimethylamino naphthalene) (dichloromethane, rt, 24 h) produced the neutral phosphacarborane closo-2,1-PCB8H9 (35% yield), while a similar reaction of nido-1-CB8H12 gave the isomeric compound closo-6,1 -PCB8H9 (27% yield). The structures of both compounds were derived on the basis of the combined ab initio/GIAO/NMR (H-1, B-11, C-13) approach. The optimized structures at a correlated level of theory (MP2) with 6-31G* basis set were used as a basis for calculations of the 1113 and C-13 chemical shifts at GIAO-SCF/II and GIAO-MP2/II, the latter showing excellent agreement with experimental data.
  • The reaction between arachno-4-CB8H14 and PCl3 in the presence of PS (PS = proton sponge = 1,8-dimethylamino naphthalene) (dichloromethane, rt, 24 h) produced the neutral phosphacarborane closo-2,1-PCB8H9 (35% yield), while a similar reaction of nido-1-CB8H12 gave the isomeric compound closo-6,1 -PCB8H9 (27% yield). The structures of both compounds were derived on the basis of the combined ab initio/GIAO/NMR (H-1, B-11, C-13) approach. The optimized structures at a correlated level of theory (MP2) with 6-31G* basis set were used as a basis for calculations of the 1113 and C-13 chemical shifts at GIAO-SCF/II and GIAO-MP2/II, the latter showing excellent agreement with experimental data. (en)
Title
  • Two isomeric phosphacarboranes 2,1- and 6,1-PCB8H9, the first representatives of the 10-vertex closo phosphacarborane series.
  • Two isomeric phosphacarboranes 2,1- and 6,1-PCB8H9, the first representatives of the 10-vertex closo phosphacarborane series. (en)
skos:prefLabel
  • Two isomeric phosphacarboranes 2,1- and 6,1-PCB8H9, the first representatives of the 10-vertex closo phosphacarborane series.
  • Two isomeric phosphacarboranes 2,1- and 6,1-PCB8H9, the first representatives of the 10-vertex closo phosphacarborane series. (en)
skos:notation
  • RIV/61388980:_____/02:50023026!RIV/2003/AV0/A50003/N
http://linked.open.../vavai/riv/strany
  • 2817;2819
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(LN00A028), Z(AV0Z4032918)
http://linked.open...iv/cisloPeriodika
  • 11
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 667563
http://linked.open...ai/riv/idVysledku
  • RIV/61388980:_____/02:50023026
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • crystal; structure; phosphaboraness (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [561FD4F83FFA]
http://linked.open...i/riv/nazevZdroje
  • Inorganic Chemistry
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...ocetUcastnikuAkce
http://linked.open...nichUcastnikuAkce
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 41
http://linked.open...iv/tvurceVysledku
  • Bakardjiev, Mario
  • Holub, Josef
  • Štíbr, Bohumil
  • Hnyk, Drahomír
  • Tok, O. L.
  • Wrackmezer, B.
http://linked.open...n/vavai/riv/zamer
issn
  • 0020-1669
number of pages
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