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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F13%3A39896299%21RIV14-GA0-25310___
rdf:type
skos:Concept n8:Vysledek
rdfs:seeAlso
http://pubs.acs.org/doi/abs/10.1021/om3012344
dcterms:description
The complexation chemistry of the stannylene Sn{N[Si(CH3)(3)](2)}(2), first reported by Lappert in the 1970s, was investigated by Sn-119 NMR chemical shift measurements. To this end, experimental NMR data and theoretical density functional theory (DFT) calculations were combined to get an insight into the interaction between the stannylene and various solvent molecules with sigma- and/or pi-coordinating power. Small variations in the measured Sn-119 chemical shifts revealed a donor-acceptor interaction with the solvent molecules. In comparison to the noncoordinating solvent cyclohexane taken as a reference, a weak coordination was observed with aromatic solvent molecules (benzene and toluene) and a much stronger coordination with the sigma-donors THF and pyridine. Pyridine was confirmed to be the strongest donor, as evidenced by its large upfield chemical shift Delta delta(Sn-119) of 635 ppm. The experimental chemical shifts were reproduced by DFT (NMR) calculations, demonstrating similar trends in the interaction strength with the sigma- and pi-donors. The stannylene Sn{N[Si(CH3)(3)](2)}(2) showed the ability to react with Fe(CO)(5) and Fe-2(CO)(9) in the molar ratio 1/1 to provide L2SnFe(CO)(4) complexes. With a molar excess of Fe-2(CO)(9), L2Sn[Fe(CO)(4)](2) was generated irreversibly. Upon prolonged UV irradiation in the presence of W(CO)(6), in the molar ratio 1/1, a mixture of L2SnW(CO)(5) and two (L2Sn)(2)W(CO)(4) complexes was generated. The complexation chemistry of the stannylene Sn{N[Si(CH3)(3)](2)}(2), first reported by Lappert in the 1970s, was investigated by Sn-119 NMR chemical shift measurements. To this end, experimental NMR data and theoretical density functional theory (DFT) calculations were combined to get an insight into the interaction between the stannylene and various solvent molecules with sigma- and/or pi-coordinating power. Small variations in the measured Sn-119 chemical shifts revealed a donor-acceptor interaction with the solvent molecules. In comparison to the noncoordinating solvent cyclohexane taken as a reference, a weak coordination was observed with aromatic solvent molecules (benzene and toluene) and a much stronger coordination with the sigma-donors THF and pyridine. Pyridine was confirmed to be the strongest donor, as evidenced by its large upfield chemical shift Delta delta(Sn-119) of 635 ppm. The experimental chemical shifts were reproduced by DFT (NMR) calculations, demonstrating similar trends in the interaction strength with the sigma- and pi-donors. The stannylene Sn{N[Si(CH3)(3)](2)}(2) showed the ability to react with Fe(CO)(5) and Fe-2(CO)(9) in the molar ratio 1/1 to provide L2SnFe(CO)(4) complexes. With a molar excess of Fe-2(CO)(9), L2Sn[Fe(CO)(4)](2) was generated irreversibly. Upon prolonged UV irradiation in the presence of W(CO)(6), in the molar ratio 1/1, a mixture of L2SnW(CO)(5) and two (L2Sn)(2)W(CO)(4) complexes was generated.
dcterms:title
Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide
skos:prefLabel
Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide
skos:notation
RIV/00216275:25310/13:39896299!RIV14-GA0-25310___
n8:predkladatel
n9:orjk%3A25310
n3:aktivita
n18:S n18:P n18:I
n3:aktivity
I, P(GAP207/12/0223), S
n3:cisloPeriodika
7
n3:dodaniDat
n17:2014
n3:domaciTvurceVysledku
n6:5107962 n6:5101921 n6:6951082
n3:druhVysledku
n16:J
n3:duvernostUdaju
n15:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
65977
n3:idVysledku
RIV/00216275:25310/13:39896299
n3:jazykVysledku
n20:eng
n3:klicovaSlova
gaussian-basis sets; including atomic orbitals; phase electron-diffraction; nuclear magnetic-resonance; density-functional-approach; correlated molecular calculations; sn-119 chemical-shifts; n-heterocyclic carbenes; group-4b metal alkyls
n3:klicoveSlovo
n5:n-heterocyclic%20carbenes n5:phase%20electron-diffraction n5:correlated%20molecular%20calculations n5:gaussian-basis%20sets n5:sn-119%20chemical-shifts n5:density-functional-approach n5:including%20atomic%20orbitals n5:nuclear%20magnetic-resonance n5:group-4b%20metal%20alkyls
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[7846A4FBA2E4]
n3:nazevZdroje
Organometallics
n3:obor
n7:CA
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
8
n3:projekt
n13:GAP207%2F12%2F0223
n3:rokUplatneniVysledku
n17:2013
n3:svazekPeriodika
32
n3:tvurceVysledku
Olejník, Roman Biesemans, Monique Turek, Jan De Proft, Frank Růžička, Aleš Geerlings, Paul Broeckaert, Lies Willem, Rudolph
n3:wos
000317370000012
s:issn
0276-7333
s:numberOfPages
14
n14:doi
10.1021/om3012344
n4:organizacniJednotka
25310