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Related Experiment Videos

Monobridged Si2H4.

M C McCarthy1, Z Yu, L Sari

  • 1Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA. mccarthy@cfa.harvard.edu

The Journal of Chemical Physics
|February 25, 2006
PubMed
Summary
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A new silicon molecule, H(2)Si(H)SiH, was discovered using microwave spectroscopy. This isomer is close in energy to disilene and may be detectable in interstellar space.

Area of Science:

  • Physical Chemistry
  • Astrochemistry
  • Computational Chemistry

Background:

  • Silane (SiH4) isomers are crucial in silicon chemistry.
  • Understanding the potential energy surface of Si2H4 isomers is key to their identification.

Purpose of the Study:

  • To detect and characterize a new monobridged isomer of Si2H4.
  • To investigate the inversion pathway and energetics of this isomer.
  • To assess its potential for radioastronomical detection.

Main Methods:

  • Fourier transform microwave spectroscopy of supersonic molecular beams.
  • High-level coupled cluster theory calculations.
  • Transition state calculations.

Main Results:

Related Experiment Videos

  • The rotational spectrum of the monobridged Si2H4 isomer, H(2)Si(H)SiH, was successfully detected.
  • This isomer is energetically close to disilene (7 kcal/mol higher) and possesses a significant dipole moment (1.14 D).
  • High-frequency inversion was observed, likely occurring in two steps with a low barrier (2-3 kcal/mol).

Conclusions:

  • The monobridged Si2H4 isomer is a plausible candidate for radioastronomical detection due to its favorable energetics and polarity.
  • Further searches for silylsilylene, a related isomer, are ongoing.
  • The discovery provides insights into the complex chemistry of silicon hydrides.