Table 2 Tentative mechanism of iodine oxide cluster formation (initiated by the reactions included in Supplementary Table 1)a.

From: A gas-to-particle conversion mechanism helps to explain atmospheric particle formation through clustering of iodine oxides

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Reactionb

k/cm3 s−1 molecule−1c

Grouped reactions

Fit

1

IO + IOIO → I2O + OIO

5 × 10−12

 

Floated

2

OIO + IOIO → I2O3 + IO

1 × 10−11

 

Floated

3

IOIO + IOIO → I2O3 + I2O

1 × 10−11

=2

 

4

I2O + O3 → IOIO + O2

8 × 10−14

 

Manual

5

I2O2 + O3 → I2O3 + O2

4 × 10−14

 

Manual

6

I2O3 + O3 → I2O4 + O2

8 × 10−14

 

Manual

7

OIO + IOIO → I3O4

3 × 10−12

 

Floated

8

IO + I2O4 → I3O5

3 × 10−11

 

Floated

9

OIO + I2O4 → I3O6

5 × 10−11

 

Floated

10

I2O4 + I2O4 → I3O6 + OIO

5 × 10−12

 

Floated

11

I2O4 + I2O4 → I3O7 + IO

1 × 10−10

 

Floated

12

I3O4 + O3 → I3O5 + O2

8 × 10−14

 

Manual

13

I3O5 + O3 → I3O6 + O2

1 × 10−13

 

Manual

14

I3O5 + O3 → I3O7 + O2

1 × 10−13

 

Manual

15

I3O6 + I2O3 → I5O9

1.7 × 10−10

 

Floated

16

I3O7 + I2O3 → I5O10

1.7 × 10−10

=15

 

17

I3O5 + I2O4 → I5O9

1.7 × 10−10

=15

 

18

I3O6 + I2O4 → I5O10

1.7 × 10−10

=15

 

19

I3O7 + I2O4 → I5O11

1.9 × 10−10

 

Floated

20

I3O6 + I3O6 → I5O11 + IO

4 × 10−10

 

Floated

21

I3O6 + I3O7 → I5O11 + OIO

4 × 10−10

=21

 

22

I3O6 + I3O7 → I5O12 + IO

2 × 10−10

 

Floated

23

I3O7 + I3O7 → I5O12 + OIO

2 × 10−10

=22

 

24

I5O9 + O3 → I5O10 + O2

3 × 10−13

 

Manual

25

I5O10 + O3 → I5O11 + O2

3 × 10−13

 

Manual

26

I5O11 + O3 → I5O12 + O2

2 × 10−13

 

Manual

27

I5O9 + I2O3 → I7O12

1.7 × 10−10

=15

 

28

I5O10 + I2O3 → I7O13

1.7 × 10−10

=15

 

29

I5O11 + I2O3 → I7O14

1.7 × 10−10

=15

 

30

I5O12 + I2O3 → I7O15

1.7 × 10−10

=15

 

31

I5O9 + I2O4 → I7O13

1.9 × 10−10

=19

 

32

I5O10 + I2O4 → I7O14

1.9 × 10−10

=19

 

33

I5O11 + I2O4 → I7O15

1.9 × 10−10

=19

 

34

I5O12 + I2O4 → I7O16

1.9 × 10−10

=19

 

35

I5O12 + I3O6 → I7O17 + IO

1 × 10−10

 

Floated

36

I5O12 + I3O7 → I7O17 + OIO

3 × 10−10

 

Floated

37

I5O11 + I5O11 → IOP

6 × 10−10

 

Floated

38

I5O11 + I5O12 → IOP

6 × 10−10

=38

 

39

I5O12 + I5O12 → IOP

7 × 10−10

 

Floated

  1. aAb initio thermochemistry is available up to I4Oy. Endothermic reactions and reactions forming weakly bound complexes are not included (see Table 1). For larger clusters, reactions are included in order to explain observed peaks and relative peak intensities.
  2. bFor simplicity, only the forward association reactions are considered, i.e., unimolecular decomposition of the adduct is ignored, and therefore these are effective rate constants.
  3. cRate constants from the global fit in Fig. 2.
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