1. T [K]
134.0
128.7
125.0
121.2
117.2
114.2
112.1
109.9
108.3
106.6
106.0 Ge Me Ge Me Me

2. DG# eq (eq->#; see below) G ax Ge Me Ge Me parameter value unit R
8.315
J K-1 mol-1
<T>
114 K
K(eq->ax) -
%a(e) (low field; eq)
56.3
%b(a) (high field: ax)
43.7
DG(eq->ax)
J mol-1
kJ mol-1
kcal mol-1
conversion factor
0.239
kcal/kJ kB
1.381E-23
J K-1 h
6.626E-34
J s
DG# eq
(eq->#; see below) G ax Ge Me Ge Me

3. DH# = 3.92 kcal mol-1; DS# = +0.0089 kcal mol-1K-1 / +8.9 cal mol-1K-1
Me analysis:
k(sum)
kcal mol-1 Tc
k(eq->ax)
k(ax->eq)
sum check
DG#(eq->#)
556
711
908
1222
721.05
928.95
1650
2781
1966.5
2533.5
4500
3801.9
4898.1
8700
6205.4
7994.6
14200
34900
DG#
(eq->#) +/
Average:
DG# = DH# -TDS# =>
DH# = 3.92 kcal mol-1; DS# = kcal mol-1K-1 / +8.9 cal mol-1K-1
Tcorr

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

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