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Spectroscopic Characterization of Nonconcerted 4 + 2 Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene To Form Lanthanum-Benzene in the Gas Phase.

Author
Abstract
:

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
Journal
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The journal of physical chemistry. A
Volume
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121
Issue
:
6
Number of Pages
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1233-1239
Date Published
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2017
ISSN Number
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1089-5639
URL
:
https://doi.org/10.1021/acs.jpca.6b12239
DOI
:
10.1021/acs.jpca.6b12239
Short Title
:
J Phys Chem A
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