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- W2984569872 abstract "Abstract Bonding in the ground state of C $${}_{2}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:msub> <mml:mrow /> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> is still a matter of controversy, as reasonable arguments may be made for a dicarbon bond order of $$2$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mn>2</mml:mn> </mml:math> , $$3$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mn>3</mml:mn> </mml:math> , or $$4$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mn>4</mml:mn> </mml:math> . Here we report on photoelectron spectra of the C $${}_{2}^{-}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:msubsup> <mml:mrow /> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> <mml:mrow> <mml:mo>−</mml:mo> </mml:mrow> </mml:msubsup> </mml:math> anion, measured at a range of wavelengths using a high-resolution photoelectron imaging spectrometer, which reveal both the ground $${X}^{1}{Sigma}_{mathrm{g}}^{+}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:msup> <mml:mrow> <mml:mi>X</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>1</mml:mn> </mml:mrow> </mml:msup> <mml:msubsup> <mml:mrow> <mml:mi>Σ</mml:mi> </mml:mrow> <mml:mrow> <mml:mi>g</mml:mi> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msubsup> </mml:math> and first-excited $${a}^{3}{Pi}_{{mathrm{u}}}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:msup> <mml:mrow> <mml:mi>a</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msup> <mml:msub> <mml:mrow> <mml:mi>Π</mml:mi> </mml:mrow> <mml:mrow> <mml:mi>u</mml:mi> </mml:mrow> </mml:msub> </mml:math> electronic states. These measurements yield electron angular anisotropies that identify the character of two orbitals: the diffuse detachment orbital of the anion and the highest occupied molecular orbital of the neutral. This work indicates that electron detachment occurs from predominantly $$s$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mi>s</mml:mi> </mml:math> -like ( $$3{sigma}_{mathrm{g}}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mn>3</mml:mn> <mml:msub> <mml:mrow> <mml:mi>σ</mml:mi> </mml:mrow> <mml:mrow> <mml:mi>g</mml:mi> </mml:mrow> </mml:msub> </mml:math> ) and $$p$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mi>p</mml:mi> </mml:math> -like ( $$1{pi }_{{mathrm{u}}}$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mn>1</mml:mn> <mml:msub> <mml:mrow> <mml:mi>π</mml:mi> </mml:mrow> <mml:mrow> <mml:mi>u</mml:mi> </mml:mrow> </mml:msub> </mml:math> ) orbitals, respectively, which is inconsistent with the predictions required for the high bond-order models of strongly $$sp$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mi>s</mml:mi> <mml:mi>p</mml:mi> </mml:math> -mixed orbitals. This result suggests that the dominant contribution to the dicarbon bonding involves a double-bonded configuration, with 2 $$pi$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mi>π</mml:mi> </mml:math> bonds and no accompanying $$sigma$$ <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML> <mml:mi>σ</mml:mi> </mml:math> bond." @default.
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- W2984569872 date "2019-11-15" @default.
- W2984569872 modified "2023-10-12" @default.
- W2984569872 title "The dicarbon bonding puzzle viewed with photoelectron imaging" @default.
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- W2984569872 doi "https://doi.org/10.1038/s41467-019-13039-y" @default.
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