Clamshell Structure of Sc(biphenyl) from High Resolution Photoelectron Spectroscopy

Clamshell Structure of Sc(biphenyl) from High Resolution Photoelectron Spectroscopy

Sc(biphenyl) is produced in a laser vaporization molecular beam source and characterized by pulsed field ionization-zero electron kinetic energy (ZEKE) photoelectron spectroscopy and density functional theory. The theory predicts two low-energy isomers:  a clamshell structure with Sc binding to both...

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Veröffentlicht in:Journal of the American Chemical Society 2006-08, Vol.128 (33), p.10692-10693
Hauptverfasser: Sohnlein, Bradford R, Fuller, Jason F, Yang, Dong-Sheng
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Chemistry
Exact sciences and technology
General and physical chemistry
Noncondensed benzenic compounds
Organic chemistry
Preparations and properties
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container_issue 33
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container_title Journal of the American Chemical Society
container_volume 128
creator Sohnlein, Bradford R
Fuller, Jason F
Yang, Dong-Sheng
description Sc(biphenyl) is produced in a laser vaporization molecular beam source and characterized by pulsed field ionization-zero electron kinetic energy (ZEKE) photoelectron spectroscopy and density functional theory. The theory predicts two low-energy isomers:  a clamshell structure with Sc binding to both phenyl rings and a half-sandwich structure with Sc binding to single ring. The joint experimental and theoretical study shows that the Sc(biphenyl) complex prefers the clamshell structure with a twelve-fold binding mode. From the free ligand to the clamshell structure of the complex, phenyl rings first rotate to become coplanar, then bend toward the Sc atom, and finally are clamped in place by Sc binding.
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subjects Chemistry
Exact sciences and technology
General and physical chemistry
Noncondensed benzenic compounds
Organic chemistry
Preparations and properties
title Clamshell Structure of Sc(biphenyl) from High Resolution Photoelectron Spectroscopy
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