About: Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides

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About: Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A combination of nuclear quadrupole resonance spectroscopy (NQR) and mass spectrometry (MS) has been used to observe trends in electronic structure in three titanocenes: bis(cyclopentadienyl) titanium dichloride (eta(5)-C5H5)(2)TiCl2, bis(pentamethylcyclopentadienyl) titanium dichloride (eta(5)-C-5(CH3)(5))(2)TiCl2 and dimethylsilylene-bridged ansa bis(cyclopentadienyl) titanium dichloride Si(CH3)(2)(eta(5)-C5H5)(2)TiCl2. Using MS, electron ionisation mass spectra of these compounds are presented within the context of the entire homologous series with one to five methyl groups on each cyclopentadienyl ligand. A dedicated NQR spectrometer was constructed for this study with a sensitivity sufficient to precisely determine the NQR resonant frequency of Cl-35 atoms using 3 g samples of these titanocenes. The observed frequencies are thus 11.784, 11.930 and 10.863 MHz at 298 K. The results demonstrate that NQR using a relatively simple apparatus can be used as a sensitive and cost effective probe into the molecular structure of organometallic chlorides, which complements the information inferred from the mass spectra. A combination of nuclear quadrupole resonance spectroscopy (NQR) and mass spectrometry (MS) has been used to observe trends in electronic structure in three titanocenes: bis(cyclopentadienyl) titanium dichloride (eta(5)-C5H5)(2)TiCl2, bis(pentamethylcyclopentadienyl) titanium dichloride (eta(5)-C-5(CH3)(5))(2)TiCl2 and dimethylsilylene-bridged ansa bis(cyclopentadienyl) titanium dichloride Si(CH3)(2)(eta(5)-C5H5)(2)TiCl2. Using MS, electron ionisation mass spectra of these compounds are presented within the context of the entire homologous series with one to five methyl groups on each cyclopentadienyl ligand. A dedicated NQR spectrometer was constructed for this study with a sensitivity sufficient to precisely determine the NQR resonant frequency of Cl-35 atoms using 3 g samples of these titanocenes. The observed frequencies are thus 11.784, 11.930 and 10.863 MHz at 298 K. The results demonstrate that NQR using a relatively simple apparatus can be used as a sensitive and cost effective probe into the molecular structure of organometallic chlorides, which complements the information inferred from the mass spectra. (en)
Title	Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides (en)
skos:prefLabel	Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides (en)
skos:notation	RIV/61388955:_____/12:00386059!RIV13-GA0-61388955
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(FR-TI1/130), P(GP203/09/P276)
http://linked.open...iv/cisloPeriodika	6
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Civiš, Svatopluk Španěl, Patrik Kubišta, Jiří Civiš, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	127712
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/12:00386059
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	terminal alkynes; complexes; titanium (en)
http://linked.open.../riv/klicoveSlovo	complexes terminal alkynes titanium
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[7A7DD5721FF6]
http://linked.open...i/riv/nazevZdroje	Analyst
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	NQR spectroscopy of explosives and titanocene complexes *Research and development of system of identification of explosives
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	137
http://linked.open...iv/tvurceVysledku	Civiš, Svatopluk Španěl, Patrik Kubišta, Jiří Civiš, Martin
http://linked.open...ain/vavai/riv/wos	000300510900007
issn	0003-2654
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c2an15840j

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