Spectroscopic Characterization of Nonconcerted 4 + 2 Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene To Form Lanthanum-Benzene in the Gas Phase.
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Abstract |
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The reaction between La atoms and 1,3-butadiene is carried out in a laser-vaporization molecular beam source. Metal-hydrocarbon species with formulas La(CH) (n = 2, 4, and 6) and La(CH) (m = 4 and 6) are observed with time-of-flight mass spectrometry and characterized with mass-analyzed threshold ionization spectroscopy. A lanthanum-benzene complex [La(CH)] is formed by 1,3-butadiene addition to lanthanacyclopropene [La(CH)] followed by molecular hydrogen elimination. Lanthanacyclopropene is an intermediate generated by the primary reaction between La and 1,3-butadiene. Two other intermediates produced by the La + 1,3-butadiene reaction are La[η-(1-buten-3-yne)] [La(CH)] and 1-lanthanacyclopent-3-ene [La(CH)]. The La(benzene) complex exhibits distinctive metal-ligand bonding from that of the three intermediates as shown by the adiabatic ionization energies and ground electron configurations. |
Year of Publication |
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2017
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Journal |
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The journal of physical chemistry. A
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Volume |
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121
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Issue |
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6
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Number of Pages |
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1233-1239
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Date Published |
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2017
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ISSN Number |
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1089-5639
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URL |
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https://doi.org/10.1021/acs.jpca.6b12239
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DOI |
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10.1021/acs.jpca.6b12239
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Short Title |
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J Phys Chem A
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