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Thermodynamic Analysis of Free Energy Changes Across a Range of Temperatures

This study presents a detailed thermodynamic analysis of free energy changes (ΔG#) associated with a specific reaction over a temperature range of 106 to 134 K. The average ΔG# is determined to be approximately 5.0 ± 0.1 kcal/mol. The temperature correction analysis indicates a ΔG at 114 K of +0.057 kcal/mol. Additionally, we report average values for enthalpy (ΔH) and temperature dependence (ΔS) relevant to the reaction, offering insights into reaction kinetics at low temperatures.

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Thermodynamic Analysis of Free Energy Changes Across a Range of Temperatures

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  1. Ge Me Ge Me Me

  2. DG# eq (eq->#; see below) G ax Ge Me Ge Me

  3. Me analysis: DG# (eq->#) Average: DG# = DH# -TDS# => DH# = 3.92 kcal mol-1; DS# = +0.0089 kcal mol-1K-1 / +8.9 cal mol-1K-1 Tcorr

  4. Analysis results: K (eq -> ax): + 0.78 DG(eq ->ax): + 0.057 kcal /mol (for T = 114 K) Average DG#(eq->#): 5.0 +/- 0.1 kcal/mol (4.97 +/- 0.08 kcal/mol) for temperature range 106 – 134 K

  5. Exp. Calc. T(K) keq,ax(s-1 ) 125 117 114 112 110 107 3800 1200 720 530 400 240 Dd/ppm

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