Literature DB >> 18698694

Infrared spectra, structure, and bonding of the GeH3-CrH, HGe[triple bond]MoH3, and HGe[triple bond]WH3 molecules in solid neon and argon.

Xuefeng Wang1, Lester Andrews.   

Abstract

Laser ablated chromium, molybdenum, and tungsten atoms react with germane during condensation in excess noble gases. The chromium reaction stopped at the germyl metal hydride, molybdenum gave some hydride but mostly germylidyne, and tungsten reacted spontaneously to give only the germylidyne species. These molecules were identified by isotopic shifts, density-functional theory product energy and frequency calculations, and comparison to the analogous methane and silane reaction products. Effective bond orders for the HGe[triple bond]MoH3 and HGe[triple bond]WH3 molecules are 2.82 and 2.87 using the B3LYP density functional, and are slightly lower than their silicon and carbon analogues. Our calculated Ge[triple bond]M triple bond lengths for these simple trihydride complexes are 0.05 to 0.10 A shorter than those measured for larger group 6 organometallic complexes.

Entities:  

Year:  2008        PMID: 18698694     DOI: 10.1021/ic800552s

Source DB:  PubMed          Journal:  Inorg Chem        ISSN: 0020-1669            Impact factor:   5.165


  1 in total

1.  Activation of H2S by Atomic Cr, Mn, and Fe: Matrix Infrared Spectra and Quantum Chemical Calculations.

Authors:  Jie Zhao; Xuefeng Wang
Journal:  ACS Omega       Date:  2022-08-10
  1 in total

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