Pulsed-field ionization electron spectroscopy of group 6 metal (Cr, Mo, and W) bis(benzene) sandwich complexes

The Journal of Chemical Physics
Bradford R Sohnlein, Dong-Sheng Yang

Abstract

Group 6 metal bis(benzene) sandwich complexes (M-bz(2): M=Cr, Mo, and W and bz=C(6)H(6)) were produced with laser vaporization molecular beam techniques and studied by pulsed-field ionization zero electron kinetic energy spectroscopy and density functional theory calculations. Each sandwich complex is in a D(6h) eclipsed configuration with (1)A(1g) and (2)A(1g) as the neutral and cationic ground electronic states, respectively. The adiabatic ionization energies for Cr-, Mo-, and W-bz(2) are measured to be 44,081(7), 44,581(10), and 43,634(7) cm(-1), respectively. The metal-benzene stretch and benzene torsion frequencies of the ion are measured to be 264, 277, and 370 cm(-1) and 11, 21, and 45 cm(-1) for Cr-, Mo-, and W-bz(2), respectively. In addition, a C-H out-of-plane bending mode is measured to be 787 cm(-1) for the Cr(+)-bz(2) complex, while a C-C in-plane bending mode is measured to be 614 cm(-1) for the W(+)-bz(2) complex. The unusual trend in the ionization energy and metal-benzene stretch frequency indicates strong relativistic effects on tungsten binding.

Citations

May 9, 2012·The Review of Scientific Instruments·Michael A Duncan
Jun 7, 2012·The Journal of Chemical Physics·Yuxiu LeiDong-Sheng Yang
Apr 10, 2009·The Journal of Chemical Physics·Serge A Krasnokutski, Dong-Sheng Yang
Jan 26, 2007·The Journal of Chemical Physics·Kyo-Won ChoiSang Kyu Kim
Sep 15, 2012·Angewandte Chemie·Sergey Y Ketkov, Heinrich L Selzle
Oct 21, 2014·The Journal of Physical Chemistry. a·Lifu MaHazel Cox
Aug 13, 2010·The Journal of Physical Chemistry. a·Jung Sup LeeDong-Sheng Yang
Jul 8, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Sergey Yu KetkovWen-Bih Tzeng
Jan 6, 2011·The Journal of Physical Chemistry Letters·Dong-Sheng Yang
Oct 25, 2017·The Journal of Physical Chemistry. a·W Ruchira SilvaDong-Sheng Yang
Nov 28, 2006·The Journal of Physical Chemistry. a·Xu WangDong-Sheng Yang
Oct 5, 2007·The Journal of Physical Chemistry. a·Serge A Krasnokutski, Dong-Sheng Yang
Aug 17, 2006·Journal of the American Chemical Society·Bradford R SohnleinDong-Sheng Yang

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