Chen The electron capture detector
.pdf347
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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65.Ho, J.; Polak, M. L.; and Lineberger, W. C. J. Chem. Phys. 1992, 96, 144.
66.Zanni, M. T.; Taylor, T. R.; Greenblatt, B. J.; Miller, W. H.; and Neumark, D. M. J. Chem. Phys. 1997, 107, 7613.
67.Polak, M. L.; Ho, J.; Gerber, G.; Lineberger, W. C. J. Chem. Phys. 1991, 95, 3053.
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] |
|
|
|
|
|
|