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Weakly Bound Complex Formation between HCN and CH3Cl: A Matrix-Isolation and Computational Study.

Emily K Hockey1, Korina Vlahos1, Thomas Howard1

  • 1Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, United States.

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|May 18, 2022
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Summary
This summary is machine-generated.

This study reveals that methyl chloride promotes the formation of hydrogen cyanide trimers in argon matrices. This complexation is significant for understanding the origins of life

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Area of Science:

  • Astrochemistry
  • Physical Chemistry
  • Quantum Chemistry

Background:

  • Hydrogen cyanide (HCN) aggregates are precursors to prebiotic monomers.
  • Understanding complex formation is crucial for astrobiology.

Purpose of the Study:

  • Investigate the interaction between hydrogen cyanide and methyl chloride.
  • Determine the structural and bonding properties of the resulting complex.
  • Assess the implications for prebiotic chemistry in space.

Main Methods:

  • Matrix-isolated infrared spectroscopy in solid argon at 10 K.
  • Co-condensation of HCN and CH3Cl with excess argon.
  • Fourier-transform infrared spectroscopy.
  • Quantum chemical calculations (geometry optimization, frequency, NBO).

Main Results:

  • Identified stabilized hydrogen- and halogen-bonded complexes.
  • Observed one CH3Cl molecule bound to a (HCN)3 subunit in a ring formation.
  • Demonstrated that methyl chloride promotes (HCN)3 formation via complexation.

Conclusions:

  • The presence of methyl chloride facilitates the formation of hydrogen cyanide trimers.
  • This finding has implications for the search for life in space, particularly concerning prebiotic chemistry.
  • Weakly bound complexes play a role in the synthesis of life's building blocks.