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Updated: Aug 23, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Vibrational frequencies and structural determination of triethynylmethylstannane
1US Army Edgewood Chemical and Biological Center, Aberdeen Proving Ground, MD 21010-5424, USA. james.jensen@sbccom.apgea.army.mil
Abstract:
The normal mode frequencies and corresponding vibrational assignments of Triethynylmethylstannane (SnCH(3)(CCH)(3)) are examined theoretically using the Gaussian 98 set of quantum chemistry codes. Each of the vibrational modes was assigned to one of nine types of motion predicted by a group theoretical analysis (Sn-C stretch, C[triple bond]C stretch, C-H stretch, C[triple bond]C-H bend, Sn-C[triple bond]C bend, C-Sn-C bend, H-C-H bend, CH(3) wag, and CH(3) twist) utilizing the C(3v) symmetry of the molecule. A set of uniform scaling factors was derived for each type of motion. Predicted infrared and Raman intensities are reported.
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