Chen The electron capture detector
.pdfTABLES OF EVALUATED ELECTRON AFFINITIES |
377 |
16.Heinis, T.; Chowdhury, S.; and Kebarle, P. Org. Mass Spectrom. 1993, 28, 358.
17.Chowdhury, S. and Kebarle, P. J. Amer. Chem. Soc. 1986, 108, 5453.
18.Mock, R. S. and Grimsrud, E. P. J. Amer. Chem. Soc. 1989, 111, 2861.
19.Mishima, M.; Huh, C.; Lee, H. W.; Nakamura, H.; Fujio, M.; and Tsuno, Y. 1995, 36, 2265.
20.Bartmess, J. E. J. Amer. Chem. Soc. 1980, 102, 2483.
21.Burinsky, D. J.; Fukuda, E. K.; and Campana, J. J. Amer. Chem. Soc. 1984, 106, 2270.
22.Page, F. M. and Goode, G. C. Negative Ions and the Magnetron. New York: WileyInterscience, 1969.
23.Dillow, G. W. and Kebarle, P. J. Amer. Chem. Soc. 1989, 111, 5592.
24.Sharpe, P.; Alameddin, N. G.; and Richardson, D. E. J. Amer. Chem. Soc. 1994, 116, 11098.
25.Harland, P. W. Int. J. Mass Spectrom. Ion Phys. 1977, 25, 61.
26.National Institute of Standards and Technology (NIST). Chemistry WebBook, 2003. Available at http://webbook.nist.gov.
TABLE A6.1 Bergman Dewar Set
0 |
Benzene |
0þ |
eV |
42 |
Tetrabenz[de,h,kl,rst]- |
1.70 |
eV |
1 |
Naphthalene |
0.16 |
eV |
|
pentaphene |
|
|
2 |
Anthracene |
0.68 |
eV |
43 |
Tetrabenz[de,hi,op,st]pentacene 1.68 eV |
||
3 |
Tetracene |
1.08 |
eV |
44 |
Pyrene |
0.61 |
eV |
4 |
Pentacene |
1.39 |
eV |
45 |
Benz[e]pyrene |
0.56 |
eV |
5 |
Phenanthrene |
0.30 |
eV |
46 |
Benz[a]pyrene |
0.82 |
eV |
6 |
Benz[a]anthracene |
0.72 |
eV |
47 |
Dibenz[b,e]pyrene |
1.10 |
eV |
7 |
Benz[a]tetracene |
1.04 |
eV |
48 |
Dibenz[a,e]pyrene |
0.88 |
eV |
8 |
Benz[a]pentacene |
1.38 |
eV |
49 |
Dibenz[e,l]pyrene |
0.59 |
eV |
9 |
Triphenylene |
0.29 |
eV |
50 |
Dibenz[a,h]pyrene |
1.16 |
eV |
10 |
Dibenz[a,c]anthracene |
0.69 |
eV |
51 |
Dibenz[a,i]pyrene |
1.06 |
eV |
11 |
Dibenz[a,c]naphthacene |
1.02 |
eV |
52 |
Naphtho[2,3,b]-pyrene |
0.67 |
eV |
12 |
Dibenz[a,c]pentacene |
1.30 |
eV |
53 |
Naphtho[2,3,e]-pyrene |
1.23 |
eV |
13 |
Dibenz[a,h]anthracene |
0.70 |
eV |
54 |
Dinaphtho[a,h]pyrene |
1.55 |
eV |
14 |
Dibenz[a,h]naphthacene´ |
1.03 |
eV |
55 |
Benz[x,y,z]heptaphene |
1.28 |
eV |
15 |
Dibenz[a,h]pentacene |
1.43 |
eV |
56 |
Tribenz[a,e,1]pyrene |
1.03 |
eV |
16 |
Chrysene |
0.42 |
eV |
57 |
Dibenz[cd,lm]perylene |
1.25 |
eV |
17 |
Ben[b]chrysene |
0.89 |
eV |
58 |
Tetrabenz[a,cd,j,lm]-perylene |
1.18 |
eV |
18 |
Dibenz[b,k]chrysene |
1.05 |
eV |
59 |
Dibenz[def,nmno]-chrysene |
1.14 |
eV |
19 |
Benz[c]phenanthrene |
0.58 |
eV |
60 |
Pyranthene |
1.32 |
eV |
20 |
Dibenz[a,j]anthracene |
0.66 |
eV |
61 |
Naphthocenonaphthacene |
1.65 |
eV |
21 |
Benz[g]chrysene |
0.58 |
eV |
62 |
Fluoranthene |
0.82 |
eV |
22 |
Tribenz[a,c,f]-anthracene |
0.61 |
eV |
63 |
Benz[a]fluoranthene |
1.25 |
eV |
23 |
Dibenz[pg,p]chrysene |
0.79 |
eV |
64 |
Dibenz[a,f]-fluoranthene |
1.58 |
eV |
24 |
Benz[c]chrysene |
0.60 |
eV |
65 |
Benz[b]fluoranthene |
0.95 |
eV |
25 |
Dibenz[b,g]phenanthrene |
0.78 |
eV |
66 |
Benz[j]fluoranthene |
1.01 |
eV |
26 |
Picene |
0.54 |
eV |
67 |
Benz[k]fluoranthene |
0.89 |
eV |
27 |
Pentaphene |
0.75 |
eV |
68 |
Naphtho-[2,3,j]fluoranthene |
1.17 |
eV |
28 |
Hexaphene |
1.06 |
eV |
69 |
Naphtho-[2,3,k]fluoranthene |
0.90 |
eV |
29 |
Benz[p]pentaphene |
0.78 |
eV |
70 s-Indenofluoranthene |
1.33 |
eV |
378 |
APPENDIX IV |
|
|
|
|
|
|
|
TABLE A6.1 (Continued) |
|
|
|
|
|
|
||
|
|
|
|
|
|
|
|
|
30 |
Dibenz[c,m]pentaphene |
0.76 |
eV |
71 |
Benz-indenofluoranthene |
1.73 |
eV |
|
31 |
Naphtho[2,3-c]pentaphene |
0.91 |
eV |
72 |
Diindenonaphthacene |
2.04 |
eV |
|
32 |
Perylene |
0.98 |
eV |
73 |
Biphenyl |
0.13 |
eV |
|
33 |
Benz[a]perylene |
1.24 |
eV |
74 p-Terphenyl |
0.27 |
eV |
||
34 |
Dibenz[a,j]perylene |
1.45 |
eV |
75 p-Quarterphenyl |
0.41 |
eV |
||
35 |
Dibenz[a,n]perylene |
1.28 |
eV |
76 |
Dibenz[de,mn]-tetracene |
1.44 |
eV |
|
36 |
Benz[g,h.i]perylene |
0.89 |
eV |
77 |
Benzbenz[c]phenanthrene |
0.58 |
eV |
|
37 |
Dibenz[b,pqr]perylene |
0.86 |
eV |
78 |
Pentabenzpentaphene |
1.90 |
eV |
|
38 |
Benz[qr]naphthopentacene |
1.03 |
eV |
79 |
Hexacene |
1.60 |
eV |
|
39 |
Coronene |
0.80 |
eV |
80 |
Styrene |
0.10 |
eV |
|
40 |
Dibenz[fg,qr]-naphthacene |
1.10 |
eV |
81 |
Azulene |
0.84 |
eV |
|
41 |
Dibenz[bc,hl]-coronene |
1.41 |
eV |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
See Appendix II.
TABLE A6.2 Values Different from NIST Values
EVAL |
NIST |
Name/Formula |
MW |
Mtd. |
Reference |
|
|
|
|
|
|
|
|
From Tables A2.1 and A2.3 CHX (in eV) |
|
|
|
0.10(5) |
— |
Styrene (C8H8) |
104 |
E |
[2] |
0.16(2) |
0.200 |
Naphthalene (C10H8) |
128 |
E |
[1] |
0.40(5) |
0.890 |
Biphenylene (C12H8) |
152 |
CI |
[3] |
0.42(4) |
0.397 |
Chrysene (C18H12) |
228 |
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(5) |
0.630 |
Fluoranthene (C16H10) |
202 |
E |
[1] |
0.84(5) |
0.694 |
Azulene (C10H8) |
128 |
E, P, T |
[1, 11, 12] |
0.2(1) |
0.100 |
Ethene, 1,1-dichloro- (C2H2Cl2) |
97 |
E |
[1], this work |
0.30(5) |
0.094 |
Benzene, 1,2-dichloro- (C6H4Cl2) |
147 |
E |
[3], this work |
0.46(5) |
0.400 |
Trichloroethylene (C2HCl3) |
131.5 |
E |
[1, 4], this work |
0.49(3) |
0.340 |
Benzene, 1,3,5-trichloro- (C6H3Cl3) |
181.5 |
E |
[3], this work |
0.70(5) |
0.640 |
Tetrachloroethylene (C2Cl4) |
166 |
E |
[1, 4], this work |
0.66(3) |
0.450 |
Benzene, 1,2,4,5-tetrachloro- |
216 |
E |
[1, 3], this work |
|
|
(C6H2Cl4) |
|
|
|
0.73(5) |
0.434 |
Benzene, pentafluoro- (C6HF5) |
168 |
E, T |
[6, 7], this work |
0.80(10) |
0.720 |
1-Bromopyrene (C16H9Br) |
281 |
E, T |
[10] |
0.86(2) |
0.520 |
Benzene, hexafluoro- (C6F6) |
186 |
E, T, P |
[6, 7, 9, 11] |
|
|
TABLES OF EVALUATED ELECTRON AFFINITIES |
379 |
|||
TABLE A6.2 (Continued) |
|
|
|
|
||
|
|
|
|
|
|
|
EVAL |
NIST |
Name/Formula |
MW |
Mtd. |
Reference |
|
|
|
|
|
|
|
|
0.90(10) |
0.610 |
9-Bromoanthracene (C14H9Br) |
257 |
CI |
[10] |
|
0.90(5) |
0.729 |
Benzene, pentachloro- (C6HCl5) |
250.5 |
E, T |
[12] |
|
1.0(2) |
0.824 |
1,10-Biphenyl-decafluoro- (C12F10) |
334 |
T |
[6] |
|
1.0(2) |
0.859 |
Perfluorotoluene- (C7F8) |
236 |
T |
[6] |
|
1.00(5) |
0.815 |
Benzene, chloropentafluoro- |
202.5 |
E, T |
[6] |
|
|
|
(C6ClF5) |
|
|
|
|
1.07(5) |
1.062 |
Perfluoromethylcyclohexane (C7F14) |
350 |
N, T |
[14] |
|
1.15(5) |
0.915 |
Benzene, hexachloro- (C6Cl6) |
285 |
E, T |
[1, 12], this work |
|
1.2(1) |
0.110 |
Methyl iodide (CH3I) |
142 |
A |
[15, 16] |
|
1.3(1) |
1.149 |
Benzene, bromopentafluoro- |
247 |
E |
[6] |
|
|
|
(C6BrF5) |
|
|
|
|
1.5(1) |
1.414 |
Benzene, pentafluoroiodo- (C6F5I) |
294 |
T |
[6] |
|
1.65(10) |
0.622 |
Chloroform (CHCl3) |
119.5 |
M, T |
[11, 18] |
|
1.8(2) |
1.479 |
Ethane, hexachloro- (C2Cl6) |
237 |
M |
[11] |
|
1.80(15) |
0.911 |
Methane, bromotrifluoro- (CBrF3) |
149 |
A |
[16] |
|
1.80(15) |
1.101 |
Trichloromonofluoromethane (CCl3F) |
137.5 |
A |
[17, 18] |
|
2.04(10) |
0.805 |
Carbon tetrachloride (CCl4) |
154 |
M, T |
[11, 18] |
|
2.20(20) |
1.570 |
Methane, trifluoroiodo- (CF3I) |
196 |
A |
[19–21] |
|
|
|
From Table A3.1 CHNX (in eV) |
|
|
|
|
0.50(5) |
0.450 |
1,3,5-Triazine (C3H3N3) |
144 |
Ered |
[7] |
|
0.95(5) |
0.012 |
Adenine (C5H5N5) |
135 |
DB |
[1–4] |
|
2.95(10) |
3.166 |
Tetracyanoethylene (C6N4) |
128 |
M, T |
[13, 19] |
|
|
|
From Tables A4.1 and A4.3 CHOX (in eV) |
|
|
||
0.338(2) |
0.334 |
Acetophenone (C8H8O) |
120 |
E |
[4] |
|
0.39(2) |
0.373 |
Benzaldehyde, 4-methyl- (C8H8O) |
120 |
E |
[4] |
|
0.457(5) |
0.429 |
Benzaldehyde (C7H6O) |
106 |
E |
[4] |
|
0.68(5) |
0.620 |
Benzophenone (C13H10O) |
1820 |
E, T |
[1, 7–12] |
|
0.85(5) |
0.85 |
Ethanone, 1-(2-hydroxyphenyl)- |
136 |
T |
[11] |
|
|
|
(C8H8O2) |
|
|
|
|
0.9(1) |
0.823 |
Cinnamylaldehyde (C9H8O) |
132 |
E |
[1] |
|
1.03(9) |
0.971 |
M-phthalaldehyde (C8H6O2) |
134 |
T |
[9, 10] |
|
1.07(9) |
1.158 |
4-HC(O)-C6H4-COOCH3 (C9H8O3) |
164 |
T |
[9, 10] |
|
1.30(9) |
1.236 |
1,4-Benzenedicarboxaldehyde |
134 |
T |
[9, 10] |
|
|
|
(C8H6O2) |
|
|
|
|
0.52(5) |
0.395 |
Ethanone, 1-(4-fluorophenyl)- |
138 |
E |
[4] |
|
|
|
(C8H7FO) |
|
|
|
|
0.49(3) |
0.442 |
o-Fluoroacetophenone (C8H7FO) |
138 |
E |
[4] |
|
0.57(5) |
0.486 |
Benzaldehyde, 4-fluoro- (C7H5FO) |
124 |
E |
[4] |
|
0.64(5) |
0.585 |
Ethanone, 1-(4-chlorophenyl)- |
155 |
E, T |
[1, 9–11] |
|
|
|
(C8H7ClO) |
|
|
|
|
0.67(5) |
0.616 |
Acetophenone, 30-chloro- (C8H7ClO) |
155 |
E |
[4] |
|
0.70(5) |
0.620 |
4-Fluorobenzophenone (C13H9FO) |
200 |
T |
[9, 10, 12] |
|
0.66(4) |
0.637 |
Benzaldehyde, 2-fluoro- (C7H5FO) |
124 |
E |
[4] |
|
380 |
APPENDIX IV |
|
|
|
|
TABLE A6.2 (Continued) |
|
|
|
||
|
|
|
|
|
|
EVAL |
NIST |
Name/Formula |
MW |
Mtd. |
Reference |
|
|
|
|
|
|
0.79(5) |
0.642 |
20-(Trifluoromethyl)acetophenone |
188 |
E |
[4] |
|
|
(C9H7F3O) |
|
|
|
0.68(9) |
0.659 |
Benzaldehyde, 4-chloro- (C7H5ClO) |
141 |
T |
[9, 10] |
0.71(9) |
0.668 |
Benzaldehyde, 3-chloro- (C7H5ClO) |
141 |
T |
[9, 10] |
0.85(10) |
0.815 |
Benzaldehyde, 3-(CF3)- (C8H5F3O) |
174 |
T |
[9, 10] |
0.97(10) |
0.941 |
p-CF3C6H4CHO (C8H5F3O) |
174 |
T |
[10] |
1.03(9) |
0.989 |
3,5-Dichlorobenzaldehyde |
175 |
T |
[10] |
|
|
(C7H4Cl2O) |
|
|
|
1.15(9) |
1.106 |
3,5-diCl-benzophenone |
251 |
T |
[10] |
|
|
(C13H8Cl2O) |
|
|
|
1.29(9) |
1.232 |
3,5-Bis(CF3)benzaldehyde |
242 |
T |
[10] |
|
|
(C9H4F6O) |
|
|
|
1.3(1) |
0.77 |
Di-MeTerephthalate tetraCl- |
332 |
E |
this work |
|
|
(C10H6Cl4O4) |
|
|
|
2.1(15) |
1.461 |
Fluoro-p-benzoquinone (C6H3FO2) |
126 |
M |
[15] |
|
|
From Table A5.1 CHON (in eV) |
|
|
|
0.56(5) |
0.086 |
Cytosine (C4H5N3O) |
111 |
text |
this work |
0.56(5) |
0.230 |
Cytosine (C4H5N3O) |
111 |
text |
this work |
0.79(5) |
0.069 |
Thymine (C5H6N2O2) |
126 |
text |
this work |
0.80(5) |
0.086 |
Uracil (C4H4N2O2) |
112 |
text |
this work |
0.90(5) |
0.854 |
Benzene, 1,2-dimethyl-3-nitro- |
151 |
E, T [7, 8], this work |
|
|
|
(C8H9NO2) |
|
|
|
0.92(7) |
0.850 |
4-Cyanobenzoic acid methyl ester |
161 |
Misc. |
[5, 6] |
|
|
(C9H7NO2) |
|
|
|
1.1(1) |
2.168 |
p-t-amyl-nitrobenzene radical |
193 |
CI |
[21] |
|
|
(C11H15NO2) |
|
|
|
1.51(5) |
— |
Guanine(C5H3N5O) |
149 |
text |
this work |
|
|||||
TABLE A6.3 Unpublished or Updated Gas Phase Values not in NIST Tables |
|||||
|
|
|
|
|
|
EVAL |
|
Name/Formula |
|
Mtd. |
Table |
|
|
|
|
|
|
0.00(20) |
Pyridine (C5H5N) |
|
E |
12.01 |
|
0.13(5) |
C6H5F |
|
E |
11.06 |
|
0.07((5) |
C6H5F* |
|
E |
11.06 |
|
0.10(5) |
Styrene (C8H8) |
|
E |
10.06 |
|
0.14(5) |
1,2CH3C6H4Cl |
|
E |
11.07 |
|
0.17(10) |
C6H5Cl |
|
E |
11.07 |
|
0.19(5) |
p-C6H4F2* |
|
E |
11.06 |
|
0.20(5) |
Benzyl acetate |
|
E |
10.10 |
|
0.20(5) |
Ethyl acetate |
|
E |
10.10 |
|
0.21(5) |
Acetic anhydride |
|
E |
10.10 |
|
0.25(5) |
p-C6H4F2 |
|
E |
11.06 |
|
0.25(10) |
1,2CH3C6H4Br |
|
E, CEC |
11.10 |
|
0.45(15) |
CF3CHF2 |
|
E |
11.05 |
|
0.26(15) |
CF3CHF2* |
|
E |
11.05 |
|
0.30(10) |
C6H5Br |
|
E, CEC |
11.10 |
|
TABLES OF EVALUATED ELECTRON AFFINITIES |
381 |
|
TABLE A6.3 |
(Continued) |
|
|
|
|
|
|
EVAL |
Name/Formula |
Mtd. |
Table |
|
|
|
|
0.32(10) |
Dibenzofuran (C12H8O) |
E |
11.13 |
0.38(15) |
CF3CH2F |
E |
11.05 |
0.38(5) |
1,4CF3C6H4Cl |
E |
11.07 |
0.40(5) |
1,2,3,4-C6H2F4* |
E |
11.06 |
0.52(5) |
1,2,3,4-C6H2F4 |
E |
11.06 |
0.40(5) |
1,2CF3C6H4C1 (possible excited state) |
E, CEC |
11.10 |
0.42(10) |
Xanthene (C13H10O) |
E |
11.13 |
0.50(15) |
CF3CHClF (possible excited state) |
E, CEC |
11.05 |
0.50(15) |
Benzoquinoline (C13H9N) |
E |
12.01 |
0.50(10) |
1,2FC6H4Br |
E, CEC |
11.10 |
0.50(15) |
CHC1F2 |
E |
11.05 |
0.50(5) |
1,3,4-FC6H3C12 |
E |
11.07 |
0.55(5) |
1,2,4CF3C6H3C12 |
E |
11.07 |
0.13(10) |
Cytosine*** (C4H5N3O) |
Est. PES |
12.03 |
0.30(10) |
Cytosine**(C4H5N3O) |
Est. PES |
12.03 |
0.45(10) |
Cytosine* (C4H5N3O) |
Est. PES |
12.03 |
0.60(10) |
Cytosine (C4H3N3O) |
Est. PES |
12.03 |
0.60(15) |
CF3CHClF (possible excited state) |
E |
11.05 |
0.61(5) |
Benzophenone-4-methoxy (C14H12O2) |
E |
10.09 |
0.64(5) |
Benzophenone-4-methyl (C14H12O) |
E |
10.09 |
0.64(5) |
Benzophenone-4-ethyl (C15H14O) |
E |
10.09 |
0.69(3) |
Dibenz[a,c]anthracene (C22H14) |
E |
10.06 |
0.70(10) |
1,3CF3C6H4Br |
E, CEC |
11.10 |
0.77(5) |
m-hydroxyacetophenone |
E |
10.10 |
0.78(10) |
Benzophenone-p-Cl (C13H9OC1) |
E |
10.09 |
0.12(10) |
Thymine***(C5H5N2O2) |
Est. PES |
12.03 |
0.30(10) |
Thymine**(C5H5N2O2) |
Est. PES |
12.03 |
0.50(10) |
Thymine* (C5H5N2O2) |
Est. PES |
12.03 |
0.79(10) |
Thymine (C5H5N2O2) |
Est. PES |
12.03 |
0.15(10) |
Uracil*** (C4H3N2O2) |
Est. PES |
12.03 |
0.30(10) |
Uracil** (C4H3N2O2) |
Est. PES |
12.03 |
0.50(10) |
Uracil* (C4H3N2O2) |
Est. PES |
12.03 |
0.80(10) |
Uracil (C4H3N2O2) |
Est. PES |
12.03 |
0.8(1) |
Ethyl trifluroacetate |
E |
10.10 |
0.90(10) |
Benzophenone-p-Br (C13H9OBr) |
E |
10.09 |
1.02(5) |
CF3C5F9 |
NIMS |
11.06 |
1.06(5) |
CF3C6F11 |
NIMS |
11.06 |
1.09(5) |
3-Cl,6-Me-nitrobenzene (C7H6C1NO2) |
E |
10.12 |
1.10(20) |
Benzophenone-p-I (C13H9O1) |
E |
10.09 |
1.30(15) |
CH2Cl2 |
M |
10.01 |
1.50(20) |
Benzophenone-p-NO2 (C13H9NO3) |
E |
10.09 |
2.06 (10) |
CBr4 |
M |
10.01 |
|
|
|
|
E ¼ electron capture detector.
E, CEC ¼ electron capture detector and CURES-EC. M ¼ magnetron.
NIMS ¼ negative-ion mass spectrometry.
Analyze PES ¼ assign peaks found in PES spectra.First excited state.
Second excited state.
Third excited state.
382 |
APPENDIX IV |
|
TABLE A6.4 Values for Adenine, Guanine, Cytosine, Uracil, Thymine, and |
||
Their Hydrates (in eV) |
|
|
|
|
|
EVAL |
NIST |
Name/Formula |
|
|
|
1.51(5) |
— |
Guanine(C5H3N5O) |
0.95(5) |
0.012 |
Adenine (C5H5N5) |
0.80(5) |
0.086 |
Uracil (C4H4N2O2) |
1.00(5) |
0.370 |
H2O uracil radical anion (C4H6N2O3 ) |
1.20(5) |
0.700 |
(H2O)2 uracil radical anion (C4H8N2O4 ) |
1.40(5) |
0.940 |
(H2O)3 uracil radical anion (C4H10N2O5 ) |
0.79(5) |
0.069 |
Thymine (C5H6N2O2) |
0.99(5) |
0.300 |
H2O thymine radical anion (C5H8N2O3 ) |
1.19(5) |
0.570 |
(H2O)2 thymine radical anion (C5H10N2O4 ) |
1.39(5) |
0.820 |
(H2O)3 thymine radical anion (C5H12N2O5 ) |
1.59(5) |
1.000 |
(H2O)4 thymine radical anion (C5H14N2O6 ) |
1.79(5) |
1.170 |
(H2O)5 thymine radical anion (C5H16N2O7 ) |
0.56(5) |
0.086 |
Cytosine (C4H5N3O) |
0.56(5) |
0.230 |
Cytosine (C4H5N3O) |
0.76(5) |
0.320 |
H2O cytosine radical anion (C4H7N3O2 ) |
0.96(5) |
0.490 |
(H2O)2 cytosine radical anion (C4H9N3O3 ) |
1.16(5) |
0.690 |
(H2O)3 cytosine radical anion (C4H11N3O4 ) |
1.36(5) |
0.850 |
(H2O)4 cytosine radical anion (C4H13N3O5 ) |
1.56(5) |
1.040 |
(H2O)5 cytosine radical anion (C4H15N3O6 ) |
TABLE A6.5 Values for Charge Transfer Complex Acceptors not in NIST Tables
Selected |
CT |
Compound |
|
|
|
1.55(5) |
1.47(10) |
Dimethylaminobenzoquinone |
1.65(10) |
1.65(10) |
Tetracyanoxylene |
1.66(5) |
1.57(10) |
2,5-Di-t-butylbenzoquinone |
1.67(10) |
1.67(10) |
2,4-Dinitrotoluene |
1.70(10) |
1.70(10) |
Tetrachlorophthalic anhydride |
1.76(5) |
1.69(10) |
Methoxybenzoquinone |
2.18(10) |
2.18(10) |
1,2,3-Trinitrobenzene |
2.19(10) |
2.19(10) |
Pentacyanotoluene |
2.19(5) |
2.21(10) |
Bromobenzoquinone |
2.20(10) |
2.20(10) |
Iodobenzoquinone |
2.20(5) |
2.20(10) |
2,3-dichloro-1,4-naphthoquinone |
2.21(5) |
2.29(10) |
Acetylbenzoquinone |
2.25(5) |
2.35(10) |
Di-bromo-dimethylbenzoquinone |
2.30(10) |
2.30(10) |
Bromochloro-1,4-naphthoquinone |
2.30(5) |
2.22(10) |
Cyanobenzoquinone |
2.32(5) |
2.38(10) |
Trifluoromethylbenzoquinone |
2.37(10) |
2.37(10) |
2,4,6-Trinitro-p-xylene |
2.40(10) |
2.40(10) |
Trinitrofluorenone |
2.41(10) |
2.41(10) |
Dibromo-1,4-naphthoquinone |
2.52(10) |
2.52(10) |
2,4,6-Trinitroanisole |
2.57(10) |
2.57(10) |
2,4,6-Trinitrotoluene |
|
|
TABLES OF EVALUATED ELECTRON AFFINITIES |
383 |
TABLE A6.5 |
(Continued) |
|
|
|
|
|
|
Selected |
CT |
Compound |
|
|
|
|
|
2.59(10) |
2.59(10) |
1,2,4-Trinitrobenzene |
|
2.61(10) |
2.61(10) |
Di-bromobenzoquinone |
|
2.63(10) |
2.63(10) |
Nitrobenzoquinone |
|
2.64(10) |
2.64(10) |
2,4,6-Trinitrobenzoic acid |
|
2.66(5) |
2.66(10) |
2,3-dicyano-1,4-naphthoquinone |
|
2.67(10) |
2.67(10) |
o-tetrachlorobenzoquinone |
|
2.78(10) |
2.78(10) |
2,3-dicyanobenzoquinone |
|
2.78(5) |
2.78(10) |
p-tetrabromobenzoquinone |
|
2.81(10) |
2.81(10) |
1,2,3,5-Tetranitrobenzene |
|
2.83(10) |
2.83(10) |
p-tetraiodobenzoquinone |
|
2.87(10) |
2.87(10) |
Tetracyanobenzoquinone |
|
|
|
|
|
The values with the lower uncertainty are the average of the charge transfer complex value and the reduction potential value.
TABLE A6.6 Values for Chlorinated Hydrocarbons from Reduction Potentials and CURES-EC (in eV) [22 and this work]
Species |
Ea(E1=2) |
Ea(CEC) |
Difference |
|
C6H5C1 |
0.17 |
0.10 |
|
0.07 |
2-C10H7C1 |
0.30 |
0.35 |
0.05 |
|
2,20-C12H8C12 |
0.37 |
0.60 |
0.23 |
|
3-C12H9C1 |
0.39 |
0.41 |
0.02 |
|
2-C12H9C1 |
0.40 |
0.38 |
|
0.02 |
4-C12H9C1 |
0.44 |
0.40 |
|
0.04 |
2,40-C12H8C12 |
0.46 |
0.48 |
0.02 |
|
1,2,4-C6H3C13 |
0.47 |
0.49 |
0.02 |
|
3,30-C12H8C12 |
0.47 |
0.66 |
|
0.19 |
4,40-C12H8C12 |
0.50 |
0.66 |
|
0.16 |
|
||||
1,6-C10H6C12 |
0.51 |
0.50 |
|
0.01 |
1,2,3-C6H3C13 |
0.51 |
0.45 |
|
0.06 |
1,7-C10H6C12 |
0.52 |
0.49 |
|
0.03 |
2,4-C12H8C12 |
0.52 |
0.66 |
0.14 |
|
2,3-C10H6C12 |
0.54 |
0.50 |
|
0.04 |
2,3-C12H8C12 |
0.54 |
0.61 |
0.07 |
|
2,3-C12H8C12 |
0.54 |
0.61 |
0.07 |
|
1,5-C10H6C12 |
0.55 |
0.51 |
|
0.04 |
1,3-C10H6C12 |
0.56 |
0.52 |
|
0.04 |
1,4-C10H6C12 |
0.56 |
0.51 |
|
0.05 |
2,5-C12H8C12 |
0.56 |
0.66 |
0.10 |
|
1,2-C10H6C12 |
0.58 |
0.64 |
0.06 |
|
2,6-C10H6C12 |
0.58 |
0.64 |
0.06 |
|
2,7-C10H6C12 |
0.58 |
0.64 |
0.06 |
384 APPENDIX IV
TABLE A6.6 (Continued)
Species |
Ea(E1=2) |
Ea(CEC) |
Difference |
||
2,6,20,60-C12H6C14 |
0.58 |
0.61 |
0.03 |
||
3,5-C12H8C12 |
0.60 |
0.65 |
0.05 |
||
1,8-C10H6C12 |
0.61 |
0.65 |
0.04 |
||
3,4-C12H8C12 |
0.63 |
0.66 |
0.03 |
||
2,3,6-C12H7C13 |
0.66 |
0.70 |
0.04 |
||
1,2,3,5-C6H2C14 |
0.68 |
0.70 |
0.02 |
||
1,2,3,4-C6H2C14 |
0.73 |
0.72 |
|
0.01 |
|
1,3,6-C10H5C13 |
0.73 |
0.79 |
0.06 |
||
1,3,7-C10H5C13 |
0.73 |
0.78 |
0.05 |
||
1,2,6-C10H5C13 |
0.74 |
0.78 |
0.04 |
||
1,4,6-C10H5C13 |
0.74 |
0.77 |
0.03 |
||
1,2,7-C10H5C13 |
0.75 |
0.74 |
|
0.01 |
|
1,6,7-C10H5C13 |
0.76 |
0.76 |
|
0.00 |
|
2,4,5-C12H7C13 |
0.76 |
0.89 |
0.13 |
||
1,2,6-C10H5C13 |
0.78 |
0.75 |
|
0.03 |
|
1,3,5-C10H5C13 |
0.78 |
0.77 |
|
0.01 |
|
1,2,4-C10H5C13 |
0.80 |
0.75 |
|
0.05 |
|
2,5,20,50-C12H6C14 |
0.80 |
0.80 |
|
0.00 |
|
1,2,3-C10H5C13 |
0.81 |
0.74 |
|
0.07 |
|
1,3,8-C10H5C13 |
0.82 |
0.77 |
|
0.05 |
|
1,4,5-C10H5C13 |
0.82 |
0.75 |
|
0.07 |
|
2,3,5-C12H7C13 |
0.82 |
0.83 |
0.01 |
||
20,50,2,4,5-C12H5Cl5 |
0.83 |
0.78 |
|
0.05 |
|
1,2,8-C10H5C13 |
0.85 |
0.74 |
|
0.11 |
|
20,4060,2,4,6-C12H4C16 |
0.89 |
0.96 |
0.07 |
||
|
|||||
3,4,5-C12H7C13 |
0.90 |
0.86 |
|
0.04 |
|
2,3,5,6-C12H6C14 |
0.91 |
0.91 |
|
0.00 |
|
2,3,4,6-C12H6C14 |
0.92 |
0.88 |
|
0.04 |
|
3,4,30,40-C12H6C14 |
0.94 |
1.05 |
0.11 |
||
|
|||||
1,2,3,7-C10H4C14 |
0.97 |
0.92 |
|
0.05 |
|
1,2,4,6-C10H4C14 |
0.97 |
1.02 |
0.05 |
||
1,3,5,7-C10H4C14 |
0.97 |
1.03 |
0.06 |
||
3,5,30,50-C12H6C14 |
0.98 |
1.02 |
0.04 |
||
1,4,6,7-C10H4C14 |
0.99 |
1.02 |
0.03 |
||
1,2,3,5-C10H4C14 |
1.00 |
1.00 |
|
0.00 |
|
1,2,3,4-C10H4C14 |
1.02 |
0.98 |
|
0.04 |
|
2,3,4,5-C12H6C14 |
1.02 |
1.06 |
0.04 |
||
2,3,4,5,7-C12H5C15 |
1.03 |
1.03 |
|
0.00 |
|
1,3,5,8-C12H6C14 |
1.04 |
1.02 |
|
0.02 |
|
20,40,50,2,4,5-C12H4C16 |
1.04 |
1.16 |
0.12 |
||
|
|||||
1,4,5,8-C10H4C14 |
1.07 |
1.00 |
|
0.07 |
|
1,2,3,5,7-C10H3C15 |
1.07 |
1.29 |
0.22 |
||
C12Cl10 |
1.39 |
1.57 |
0.18 |
||
C10C18 |
1.57 |
1.63 |
0.06 |
|
TABLES OF EVALUATED ELECTRON AFFINITIES |
385 |
||
TABLE A6.7 Values for Biological Compounds from Reduction Potentials |
|
|
||
|
|
|
|
|
Molecule |
Ea (eV) |
CEC |
Table |
|
|
|
|
|
|
Cyanopyridine C6H5N2 |
1.05(5) |
1.08 |
12.01 |
|
Hydroxyquinoline C7H8NO |
0.85(5) |
0.85 |
12.01 |
|
Purine |
1.04(5) |
1.05 |
12.06 |
|
Vitamin K |
1.81(10) |
1.83 |
12.06 |
|
1,2,4,5-Tetrazine |
1.67(10) |
1.67 |
12.06 |
|
Riboflavin |
1.60(10) |
1.66 |
12.06 |
|
1,2,4-Triazine |
0.91(10) |
0.89 |
12.06 |
|
Vitamin A acetate |
0.90(10) |
0.91 |
12.06 |
|
Vitamin A alcohol |
0.75(10) |
0.76 |
12.06 |
|
Quinoline |
0.50(15) |
0.45 |
12.06 |
|
Benzoquinoline |
0.50(15) |
0.55 |
12.01 |
|
Pyrazine |
0.36(5) |
0.38 |
12.06 |
|
Pyradazine |
0.31(5) |
0.33 |
12.06 |
|
Pyrimidine |
0.20(5) |
0.22 |
12.06 |
|
Butadiene |
0.00(10) |
0.00 |
12.05 |
|
Hexatriene |
0.44(10) |
0.41 |
12.05 |
|
Octatetrene |
0.66(10) |
0.64 |
12.05 |
|
Decapentaene |
0.85(10) |
0.80 |
12.05 |
|
|
|
|
|
|
Author Index
Abdoul-Carmine, H., 135, 136, 327, 328,
361
Abouaf, R., 166, 230
Achiba, Y., 191
Adams, N.G., 138
Aflatooni, K., 327
Alajajian, S.H., 138
Alameddin, N.G., 377
Albyns, K., 73, 294
Alge, E., 138
Allan, M.J., 137, 167
Allouche, A.R., 191
Almeida, D.P., 233
Altshuler, A.P., 294
Anbar, M., 327
Andersen, T., 45, 190, 352, 353
Andersson, K.T., 353
Ansdell, D.A., 191
Arnold, C.C., 354
Arnold, D.W., 192, 231
Arnold, S.T., 233, 354
Arshardi, 295
Aten, A., 360
Aubert-Frecon, M., 192
Austin, T.J., 328
Ayala, J.A., 44, 167, 230
Ayotte, P., 360
Ayres, P.W., 230
Azria, R., 167, 230
Babcock, L.M., 233
Babic, D.S., 230
Baeda, A.P.M., 102, 230
Baguenard, B., 192
Bailey, C.G., 362
Bailey, T.L., 102, 191, 231
Balling, P., 353
Bansal, K.M., 137
Barden, C.J., 134
Bartlett, R.J., 20, 263
Bartmess, J.E., 136, 377
Bass, A.D., 231
Bates, D.R., 231
Batista, V.S., 167, 230
Batten, C.F., 73, 101, 233, 263, 294, 359,
376
Bauschlicher, C.W., 230
Beauchamp, J.L., 328
Beck, D.R., 353
Becker, R.S., 43, 44, 74, 101, 265, 361, 370,
376
Belic, D.S., 230
Bengali, A.A., 354
Bengtsson, G., 328
Bennett, J.C., 328
Bennett, R.A., 102, 230
Berger, S., 370, 376
Bergman, I., 265
Berkout, V., 20, 101
Berkowitz, J., 136, 231
Berry, R.S., 135, 190
Berthold, H., 43, 327
Berzinsh, U., 353
Besler, B., 327
Biakowski, S.E., 294
Biernbaum, V.M., 232, 265
Bilodeau, R.C., 352, 353, 354
Blondel, C., 352, 353
Boesch, S.E., 134, 136
Bognar, J.A., 294, 359
Bordas, Ch., 191
Borden, W.T., 264
Boulas, P., 45, 265
Bowen, K.H., 135, 136, 231, 232, 263, 264,
327, 328, 353, 354, 376
Bowie, J.H., 328
The Electron Capture Detector and the Study of Reactions with Thermal Electrons by E. C. M. Chen and E. S. D. Chen
ISBN 0-471-32622-4 # 2004 John Wiley & Sons, Inc.
387