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Thermally induced isonitrile-nitrile isomerization known in organic chemistry (left) and the computationally derived isonitrile-nitrile isomerization for the heavier analogues (right). As an example of the latter, the donor-free versions of the title compounds were chosen. Their geometries and bond properties are in good agreement with the parent system (see c ). For more details and DFT calculations on the donor-free species, see Supplementary Section 7 .

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