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347

Figure AIII.4 The error for one temperature is reduced to 1 K, as opposed to 5 K for the other data point. This illustrates the importance of proper weighting.

348 APPENDIX III

To illustrate the effect of weighting the values, a smaller error in T, 1 instead of 5 , will be assumed for one point. If the second data point had been part of a concentration study where the temperature was stabilized and multiple samples injected, this might be possible. As shown in Figure AIII.4, the values of the slope and intercept are 11.93(18) and 3,781(106), giving an Ea of 0.328(10) and Qan of 1.00(2). This is an example of how important weighting can be and how other data and their uncertainties may be used to improve the value from the data treatment.

APPENDIX IV

Tables of Evaluated Electron Affinities

TABLE A1.1

Atoms (in eV)

 

 

 

 

 

 

 

 

 

 

 

N

Atom

AEa

Uncertainty

Method

Reference

Year

 

 

 

 

 

 

 

1

H

0.754209

3.0E-06

calc

[9]

1962

2

He

0þ

this work

2003

3

Li

0.618069

4.4E-05

THD

[10]

1996

4

Be

0þ

this work

2003

5

B

0.279723

4.4E-05

THD

[11]

1998

6

C

1.262119

4.4E-05

THD

[12]

1998

7

N

0þ

this work

2003

8

O

1.461110

7.0E-08

THD

[13]

1999

9

F

3.401290

3.0E-06

THD

[14]

2001

10

Ne

0þ

this work

2003

11

Na

0.547930

2.5E-05

THD

[2]

1985

12

Mg

0þ

this work

2003

13

Al

0.432830

5.0E-05

THD

[15]

1998

14

Si

1.389521

2.0E-05

THD

[12]

1998

15

P

0.7464

4.0E-04

THD

[2]

1985

16

S

2.077103

3.0E-06

THD

[16]

1995

17

Cl

3.612740

3.0E-05

THD

[17]

1987

18

Ar

0þ

this work

2003

19

K

0.50147

1.2E-04

THD

[18]

2000

20

Ca

0.024546

8.7E-05

THD

[19]

1996

21

Sc

0.19

2.0E-02

PES

[20]

1981

22

Ti

0.08

1.0E-02

PES

[21]

1987

23

V

0.53

1.0E-02

PES

[22]

1998

24

Cr

0.676

1.2E-04

PES

[22]

1998

25

Mn

0þ

this work

2003

26

Fe

0.151

3.0E-03

PES

[23]

1986

27

Co

0.6633

6.1E-04

THD

[24]

1998

28

Ni

1.15716

1.3E-04

THD

[24]

1998

29

Cu

1.235792

4.4E-04

THD

[25]

1992

30

Zn

0þ

this work

2003

349

350

APPENDIX IV

 

 

 

 

TABLE A1.1

(Continued)

 

 

 

 

 

 

 

 

 

 

 

N

Atom

AEa

Uncertainty

Method

Reference

Year

 

 

 

 

 

 

 

31

Ga

0.41

4.0E-02

THD

[26]

1998

32

Ge

1.232712

1.5E-04

THD

[12]

1998

33

As

0.814

8.0E-03

PES

[27]

1998

34

Se

2.020682

4.4E-05

THD

[28]

1988

35

Br

3.363583

4.4E-05

THD

[29]

1989

36

Kr

0þ

this work

2003

37

Rb

0.485920

2.0E-05

THD

[30]

1978

38

Sr

0.05206

4.4E-05

THD

[31]

1997

39

Y

0.308

1.2E-02

PES

[20]

1981

40

Zr

0.427

1.4E-02

PES

[2]

1985

41

Nb

0.894

2.5E-02

PES

[2]

1985

42

Mo

0.7472

2.0E-04

PES

[22]

1998

43

Tc

0.55

1.5E-01

EST

[2]

1985

44

Ru

1.04638

2.0E-04

THD

[32]

1999

45

Rh

1.142890

2.0E-04

THD

[24]

1998

46

Pd

0.56214

1.2E-04

THD

[24]

1998

47

Ag

1.30447

2.0E-05

THD

[22]

1998

48

Cd

0þ

this work

2003

49

In

0.404

9.0E-03

THD

[33]

1998

50

Sn

1.112067

1.5E-04

THD

[12]

1998

51

Sb

1.474020

2.0E-05

THD

[34]

1997

52

Te

1.970876

7.0E-06

THD

[35]

1996

53

I

3.059000

1.0E-05

THD

[36]

1992

54

Xe

0þ

this work

2003

55

Cs

0.471640

6.0E-05

THD

[37]

1998

56

Ba

0.144620

6.0E-05

THD

[38]

1995

57

La

0.470

2.6E-02

THD

[39]

1998

58

Ce

0.955

2.6E-02

THD

[40]

2002

59

Pr

0.962

2.6E-02

THD

[41]

2002

60

Nd

0.050

EST

[4]

1997

61

Pm

0þ

EST

[4]

1997

62

Sm

0.05

EST

[4]

1997

63

Eu

0.05

EST

[4]

1997

64

Gd

0.10

EST

[4]

1997

65

Tb

0.10

EST

[4]

1997

66

Dy

0.15

EST

[4]

1997

67

Ho

0þ

EST

[4]

1997

68

Er

0þ

EST

[4]

1997

69

Tm

1.029

2.2E-02

THD

[42]

2002

70

Yb

0.01

EST

[4]

1997

71

Lu

0.34

THD

[43]

2001

72

Hf

0.10

EST

[4]

1997

73

Ta

0.323

1.2E-02

PES

[2]

1985

74

W

0.815

4.0E-03

PES

[44]

1992

75

Re

0.150

1.0E-01

SI

[45]

1970

76

Os

1.0778

1.5E-04

THD

[46]

2000

 

 

 

TABLES OF EVALUATED ELECTRON AFFINITIES

351

TABLE A1.1

(Continued)

 

 

 

 

 

 

 

 

 

 

 

N

Atom

AEa

Uncertainty

Method

Reference

Year

 

 

 

 

 

 

 

77

Ir

1.5644

1.5E-04

THD

[47]

1999

78

Pt

2.12510

5.0E-05

THD

[47]

1999

79

Au

2.30863

3.0E-05

THD

[2]

1985

80

Hg

0þ

EST

this work

2003

81

Tl

0.377

1.3E-02

PD

[48]

2000

82

Pb

1.10

5.0E-02

PD

[49]

1973

83

Bi

0.942362

1.3E-05

PES

[50]

2001

84

Po

1.9

3.0E-01

EST

this work

2003

85

At

2.8

2.0E-01

EST

this work

2003

86

Rn

0þ

EST

this work

2003

87

Fr

0.460

EST

this work

2003

88

Ra

0.170

EST

this work

2003

89

Ac

0þ

EST

this work

2003

90

Th

0.05

EST

this work

2003

91

Pa

0.05

EST

this work

2003

92

U

0.05

EST

this work

2003

93

Np

0þ

EST

this work

2003

94

Pu

0.05

EST

this work

2003

 

 

TABLE A1.2 Main Group Homonuclear Diatomic Molecules (in eV)

 

 

 

 

 

 

 

 

AN

Mol

AEa

Uncertainty

Method

Reference

Year

 

 

 

 

 

 

 

3

Li2

0.509

0.009

PES

[51]

1994

5

B2

1.300

0.400

PES

[52]

1993

6

C2

3.269

0.006

M

[6]

2003

8

O2

1.070

0.100

M

this work

2003

9

F2

3.080

0.050

M

[6]

2003

11

Na2

0.430

0.015

PES

[53]

1989

13

Al2

1.460

0.060

PES

[54]

1998

14

Si2

2.200

0.010

PES

[55]

1993

15

P2

0.610

0.025

PES

[56]

1985

16

S2

1.690

0.015

M

[6]

2003

17

Cl2

2.450

0.020

M

Table 9.1

2003

19

K2

0.497

0.015

PES

[53]

1989

20

Ca2

0.025

EST

this work

2003

29

Cu2

0.840

0.010

PES

[57]

1990

31

Ga2

1.600

0.100

PES

[58]

1994

32

Ge2

2.074

0.001

PES

[59]

1995

33

As2

0.739

0.001

PES

[60]

1998

34

Se2

1.940

0.070

PES

[61]

1989

35

Br2

2.560

0.020

M

Table 9.1

2003

37

Rb2

0.498

0.015

LPD

[53]

1989

38

Sr2

0.052

EST

this work

2003

47

Ag2

1.100

0.008

PES

[57]

1990

49

In2

1.270

0.100

PES

[62]

1990

352

APPENDIX IV

 

 

 

 

TABLE A1.2

(Continued)

 

 

 

 

 

 

 

 

 

 

 

AN

Mol

AEa

Uncertainty

Method

Reference

Year

 

 

 

 

 

 

 

50

Sn2

1.965

0.010

PES

[63]

1999

51

Sb2

1.282

0.008

PES

[64]

1992

52

Te2

1.920

0.070

PES

[65]

1992

53

I2

2.524

0.005

PES

[66]

1997

55

Cs2

0.469

0.015

PES

[53]

1989

56

Ba2

0.145

EST

this work

2003

79

Au2

1.940

0.001

PES

[57]

1990

81

Tl2

0.950

0.100

PES

[62]

1990

82

Pb2

1.366

0.008

PES

[65]

1992

83

Bi2

1.271

0.008

PES

[67]

1991

The electron affinities of the Group II homonuclear diatomic molecules should be greater than the electron affinity of the atom.

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TABLES OF EVALUATED ELECTRON AFFINITIES

355

TABLE A2.1 CH Molecules by Value (in eV)

EVAL

NIST

Name/Formula

MW

Mtd.

Reference

 

 

 

 

 

 

0.07(2)

0.048

Benzene, 1,2,4,5-tetramethyl- (C10H14)

134

E

[2]

0.10(5)

Styrene (C8H8)

104

E

[2]

0.10(5)

0.108

Benzene, 1,2,3,5-tetramethyl- (C10H14)

134

E

[2]

0.12(5)

0.121

Benzene, hexamethyl- (C12H18)

162

E

[2]

0.13(5)

0.130

Biphenyl (C12H10)

154

E

[2]

0.14(5)

0.143

Naphthalene, 2-methyl- (C11H10)

142

E

[2]

0.16(2)

0.200

Naphthalene (C10H8)

128

E

[1]

0.16(5)

0.160

Naphthalene, 1-methyl- (C11H10)

142

E

[2]

0.16(5)

0.147

Naphthalene, 1-ethyl- (C12H12)

156

E

[2]

0.16(5)

0.160

Naphthalene, 2,6-dimethyl- (C12H12)

156

E

[2]

0.16(5)

0.156

Diphenylmethane (C13H12)

168

E

[2]

0.17(5)

0.173

Indene (C9H8)

116

E

[2]

0.17(5)

0.173

Naphthalene, 2,3-dimethyl- (C12H12)

156

E

[2]

0.18(5)

0.182

Benzene, pentamethyl- (C11H16)

148

E

[2]

0.19(5)

0.195

Naphthalene, 2-ethyl- (C12H12)

156

E

[2]

0.21(5)

0.247

Naphthalene, 1,4-dimethyl- (C12H12)

156

E

[2]

0.28(5)

0.278

Fluorene (C13H10)

166

E

[2]

0.29(2)

0.285

Triphenylene (C18H12)

228

E

[1]

0.30(2)

0.307

Phenanthrene (C14H10)

178

E

[1]

0.32(5)

0.321

Diphenylethyne (C14H10)

178

E

[2]

0.39(5)

0.390

(E)-stilbene (C14H12)

180

E

[2]

0.39(5)

0.390

Ethylene, 1,1-diphenyl- (C14H12)

180

E

[2]

0.40(5)

0.890

Biphenylene (C12H8)

152

CI

[3]

0.42(4)

0.397

Chrysene (C18H12)

228

E

[1]

0.54(3)

0.542

Picene (C22H14)

278

E

[1]

0.55(3)

0.534

Benzo[e]pyrene (C20H12)

252

E

[1]

0.58(1)

0.545

Benzo[c]phenanthrene (C18H12)

228

E

[1]

0.60(5)

0.550

Anthracene, 1-methyl- (C15H12)

192

CI

[3]

0.61(2)

0.500

Pyrene (C16H10)

202

E

[1]

0.67(3)

0.591

Dibenz[a,j]anthracene (C22H14)

278

E

[1]

0.68(2)

0.530

Anthracene (C14H10)

178

E, P, T

[1, 4, 5]

0.69(3)

0.595

Dibenz[a,h]anthracene (C22H14)

278

E

[1]

0.69(3)

Dibenz[a,c]anthracene (C22H14)

278

E

[1]

0.72(1)

0.390

Benz[a]anthracene (C18H12)

228

E

[1]

0.80(10)

0.550

1,3,5,7-Cyclooctatetrene (C8H8)

104

E, P, T

[1, 6–8]

0.80(5)

0.403

Acenaphthylene (C12H8)

152

E

[1]

0.80(5)

0.470

Coronene (C24H12)

300

P, CI

[9, 10]

0.82(4)

0.815

Benzo[a]pyrene (C20H12)

252

E, T

[1]

0.82(5)

0.630

Fluoranthene (C16H10)

202

E

[1]

0.84(5)

0.694

Azulene (C10H8)

128

E, P, T

[1, 11, 12]

0.89(5)

0.420

Benzo[ghi]perylene (C22H12)

276

CI

[9]

0.97(1)

0.973

Perylene (C20H12)

252

E, P, T

[1, 5, 13]

1.00(20)

1.000

Dibenzo[a,g]corannulene radical

350

CI

[9]

 

 

(C28H14)

 

 

 

1.08(4)

1.067

Naphthacene (C18H12)

228

E, P, T

[1, 5, 14]

1.16(20)

1.160

Diindenochrysene radical (C26H12)

324

CI

[9]

1.39(5)

1.392

Pentacene (C22H14)

278

T

[5]

 

 

 

 

 

 

356

APPENDIX IV

 

 

 

TABLE A2.2 CH Molecules by Molecular Weight (in eV)

 

 

 

 

 

 

 

 

 

EVAL

NIST

Name/Formula

MW

Mtd.

Reference

 

 

 

 

 

 

0.10(5)

Styrene(C8H8)

104

E

[2]

0.80(10)

0.550

1,3,5,7-Cyclooctatetrene (C8H8)

104

E, P, T

[1, 6–8]

0.17(5)

0.173

Indene (C9H8)

116

E

[2]

0.16(2)

0.200

Naphthalene (C10H8)

128

E

[1]

0.84(5)

0.694

Azulene (C10H8)

128

E, P, T

[1, 11, 12]

0.07(2)

0.048

Benzene, 1,2,4,5-tetramethyl- (C10H14)

134

E

[2]

0.10(5)

0.108

Benzene, 1,2,3,5-tetramethyl- (C10H14)

134

E

[2]

0.14(5)

0.143

Naphthalene, 2-methyl- (C11H10)

142

E

[2]

0.16(5)

0.160

Naphthalene, 1-methyl- (C11H10)

142

E

[2]

0.18(5)

0.182

Benzene, pentamethyl- (C11H16)

148

E

[2]

0.40(5)

0.890

Biphenylene (C12H8)

152

CI

[3]

0.80(5)

0.403

Acenaphthylene (C12H8)

152

E

[1]

0.13(5)

0.130

Biphenyl (C12H10)

154

E

[2]

0.16(5)

0.147

Naphthalene, 1-ethyl- (C12H12)

156

E

[2]

0.16(5)

0.160

Naphthalene, 2,6-dimethyl- (C12H12)

156

E

[2]

0.17(5)

0.173

Naphthalene, 2,3-dimethyl- (C12H12)

156

E

[2]

0.19(5)

0.195

Naphthalene, 2-ethyl- (C12H12)

156

E

[2]

0.21(5)

0.247

Naphthalene, 1,4-dimethyl- (C12H12)

156

E

[2]

0.12(5)

0.121

Benzene, hexamethyl- (C12H18)

162

E

[2]

0.28(5)

0.278

Fluorene (C13H10)

166

E

[2]

0.16(5)

0.156

Diphenylmethane (C13H12)

168

E

[2]

0.30(2)

0.307

Phenanthrene (C14H10)

178

E

[1]

0.32(5)

0.321

Diphenylethyne (C14H10)

178

E

[2]

0.68(2)

0.530

Anthracene (C14H10)

178

E, P, T

[1, 4, 5]

0.39(5)

0.390

(E)-stilbene (C14H12)

180

E

[2]

0.39(5)

0.390

Ethylene, 1,1-diphenyl- (C14H12)

180

E

[2]

0.60(5)

0.550

Anthracene, 1-methyl- (C15H12)

192

CI

[3]

0.61(2)

0.500

Pyrene (C16H10)

202

E

[1]

0.82(5)

0.630

Fluoranthene (C16H10)

202

E

[1]

0.29(2)

0.285

Triphenylene (C18H12)

228

E

[1]

0.42(4)

0.397

Chrysene (C18H12)

228

E

[1]

0.58(1)

0.545

Benzo[c]phenanthrene (C18H12)

228

E

[1]

0.72(1)

0.390

Benz[a]anthracene (C18H12)

228

E

[1]

1.08(4)

1.067

Naphthacene (C18H12)

228

E, P, T

[1, 5, 14]

0.55(3)

0.534

Benzo[e]pyrene (C20H12)

252

E

[1]

0.82(4)

0.815

Benzo[a]pyrene (C20H12)

252

E, T

[1]

0.97(1)

0.973

Perylene (C20H12)

252

E, P, T

[1, 5, 13]

0.89(5)

0.420

Benzo[ghi]perylene (C22H12)

276

CI

[9]

0.54(3)

0.542

Picene (C22H14)

278

E

[1]

0.67(3)

0.591

Dibenz[a,j]anthracene (C22H14)

278

E

[1]

0.69(3)

0.595

Dibenz[a,h]anthracene (C22H14)

278

E

[1]

0.69(3)

Dibenz[a,c]anthracene (C22H14)

278

E

[1]

1.39(5)

1.392

Pentacene (C22H14)

278

T

[5]

0.80(5)

0.470

Coronene (C24H12)

300

P, CI

[9, 10]

1.00(20)

1.000

Dibenzo[a,g]corannulene (C28H14)

350

CI

[9]

1.16(20)

1.160

Diindenochrysene radical (C26H12)

324

CI

[9]

 

 

 

 

 

 

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