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Table 5 Energies (in kJ mol-1) calculated at the polarized SBK MP2 level for various reactions and hydration energies obtained from calculated volumes

From: Theoretical studies on metal thioarsenites and thioantimonides: synergistic interactions between transition metals and heavy metalloids

Index number

Reaction

ΔE gas-phase

ΔHhyd

ΔHsolution

(1)

As2S5H4+H2O As(SH)3+As(SH)2(OH)

+36.5

0

+36

(2)

As2S5H4+H2S 2As(SH)3

+13.9

0

+ 14

(3)

As(SH)3+OH- AsS(SH)(OH)-+H2S

-320.8

+294

-25

(4)

Au(SH)+AsS(SH)(OH)- AuS(SH)2(OH)

-257

+21

-237

(5)

AuSH+AsS(SH)2- AuAsS(SH)3-

-258.3

+21

-237

(6)

Au(SH)2-+AsS(SH)(OH)- AuAsS(SH)2(OH)-+SH-

+96.3

-147

-51

(7)

Au(SH)2-+AsS(SH)2- AuAsS(SH)3-+SH-

+96.0

-147

-51