The 3p6 3d8–3p5 3d9 transitions in Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii have been newly measured by means of a low-inductance vacuum spark and a 10.7-m grazing-incidence spectrograph. The measurements have led to an improved analysis of this complex transition group in these ions. All levels of the combining configurations have been established. The energy parameters determined from least-squares fits to the observed levels are compared with Hartree–Fock calculations. The effective interaction αL(L + 1) for the 3p6 3d8 configuration decreases markedly with increasing ionization. The effective electrostatic interactions D1(3p3d) and X2(3p3d) for the 3p5 3d9 configuration are practically constant through the sequence.
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Symbols: bl, blend of two lines; h, hazy; p, perturbed by close line.
Present value for line given originally by Bogdanovichene et al., Ref. 2.
Present value for line given originally by Bogdanovichene et al., Ref. 2, and by Burkhalter et al., Ref. 3.
Present value for line given originally by Bogdanovichene et al., Ref. 2, revised classification.
Doubly classified.
Blended with 96.731 Å of Ti. (The Sr exposures were made with an anode of Sr and a cathode of Ti.)
Blended with a line of Zr xii; see Ref. 7.
Table 2
Energy Levels (in cm−1) of the 3p6 3d8 and 3p5 3d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii
Energy Parameters (in cm−1) and Mean Errors Δ of Least-Squares Fits for the 3p6 3d8 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii.a
Ion
Parameter
HF
Fitted
Fitted–HF
Sr xiii
Eav
36 440
34 031 ± 63
F2(3d3d)
214 978
194 218 ± 513
0.903 ± 0.002
F4(3d3d)
136 981
115 570 ± 468
0.844 ± 0.003
α(3d3d)
203 ± 12
ζ3d
6 133
6 207 ± 74
1.012 ± 0.012
Δ
167
Y xiv
Eav
39 578
37 009 ± 61
F2(3d3d)
225 641
204 477 ± 496
0.906 ± 0.002
F4(3d3d)
143 929
123 560 ± 456
0.858 ± 0.003
α(3d3d)
171 ± 11
ζ3d
7 196
7 226 ± 70
1.004 ± 0.010
Δ
161
Zr xv
Eav
42 883
40 323 ± 82
F2(3d3d)
236 241
215 429 ± 678
0.912 ± 0.003
F4(3d3d)
150 838
131 717 ± 627
0.873 ± 0.004
α(3d3d)
156 ± 15
ζ3d
8 388
8 365 ± 92
0.997 ± 0.011
Δ
218
Nb xvi
Eav
46 430
43 903 ± 103
F2(3d3d)
246 787
226 602 ± 847
0.918 ± 0.003
F4(3d3d)
157 711
140 221 ± 789
0.889 ± 0.005
α(3d3d)
138 ± 19
ζ3d
9 717
9 641 ± 108
0.992 ± 0.011
Δ
272
Mo xvii
Eav
50 238
47 735 ± 118
F2(3d3d)
257 286
238 019 ± 975
0.925 ± 0.004
F4(3d3d)
164 554
149 180 ± 918
0.907 ± 0.006
α(3d3d)
123 ± 22
ζ3d
11 195
11 080 ± 117
0.990 ± 0.010
Δ
312
The value of Eav listed in the HF column is that obtained by diagonalizing the energy matrix with the HF parameters, 3F4 level set at zero.
Table 4
Percentage Compositions for the 3p6 3d8 Levels of Sr xiii, Zr xv, and Mo xvii
J
Term
Percentage Composition (LS)
0
3P
96, 95, 93% 3P + 4, 5,7% 1S
1S
96, 95, 93% 1S + 4, 5, 7% 3P
1
3P
100, 100, 100% 3P
2
3F
79, 69, 57% 3F + 19, 27, 34% 1D + 2, 4, 9% 3P
3P
47, 52, 55% 3P + 37, 24, 12% 1D + 16, 24, 33% 3F
1D
45, 50, 52% 1D + 51, 43, 37% 3P + 4, 7, 11% 3F
3
3F
100, 100, 100% 3F
4
3F
99, 99, 98% 3F + 1, 1, 2% 1G
1G
99, 99, 98% 1G + 1, 1, 2% 3F
Table 5
Energy Parameters (in cm−1) and Mean Errors Δ of Least-Squares Fits for the 3p53d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii
Ion
Parameter
HF
Fitted
Fitted–HF
Sr xiii
Eav
1 112 692
1 131 577 ± 46
F2(3p3d)
202 415
193 004 ± 546
0.954 ± 0.003
G1(3p3d)
235 516
199 797 ± 237
0.848 ± 0.001
G3(3p3d)
150 323
141 352 ± 456
0.940 ± 0.003
D1(3p3d)
−13 736 ± 412
X2(3p3d)
−6 063 ± 569
ζ3p
55 838
58 728 ± 87
1.052 ± 0.002
ζ3d
6 096
5 984 ± 60
0.982 ± 0.010
Δ
148
Y xiv
Eav
1 166 512
1 192 951 ± 60
F2(3p3d)
210 891
201 963 ± 736
0.958 ± 0.003
G1(3p3d)
244 026
208 819 ± 312
0.856 ± 0.001
G3(3p3d)
156 264
147 262 ± 617
0.942 ± 0.004
D1(3p3d)
−13 522 ± 544
X2(3p3d)
−5 883 ± 743
ζ3p
63 880
67 429 ± 110
1.056 ± 0.002
ζ3d
7 152
7 004 ± 78
0.979 ± 0.011
Δ
193
Zr xv
Eav
1 220 111
1 255 174 ± 83
F2(3p3d)
219 314
210 733 ± 1056
0.961 ± 0.005
G1(3p3d)
252 433
218 008 ± 438
0.864 ± 0.002
G3(3p3d)
162 142
153 534 ± 889
0.947 ± 0.005
D1(3p3d)
−13 722 ± 764
X2(3p3d)
−6 304 ± 1038
ζ3p
72 760
77 094 ± 148
1.060 ± 0.002
ζ3d
8 335
8 162 ± 107
0.979 ± 0.013
Δ
267
Nb xvi
Eav
1 274 595
1 318 169 ± 117
F2(3p3d)
227 690
219 792 ± 1527
0.965 ± 0.007
G1(3p3d)
260 752
226 922 ± 622
0.870 ± 0.002
G3(3p3d)
167 965
159 526 ± 1295
0.950 ± 0.008
D1(3p3d)
−13 771 ± 1085
X2(3p3d)
−7 039 ± 1469
ζ3p
82 533
87 640 ± 204
1.062 ± 0.002
ζ3d
9 657
9 475 ± 148
0.981 ± 0.015
Δ
374
Mo xvii
Eav
1 328 831
1 382 222 ± 132
F2(3p3d)
236 026
228 252 ± 1772
0.967 ± 0.008
G1(3p3d)
268 994
235 911 ± 713
0.877 ± 0.003
G3(3p3d)
173 740
165 595 ± 1518
0.953 ± 0.009
D1(3p3d)
−14 052 ± 1242
X2(3p3d)
−6 745 ± 1679
ζ3p
93 255
99 559 ± 226
1.068 ± 0.002
ζ3d
11 125
10 918 ± 166
0.981 ± 0.015
O
422
Table 6
Percentage Compositions for the 3p5 3d9 Levels of Sr xiii, Zr xv, and Mo xvii
J
Term
Percentage jj
Percentage Composition (LS)
0
3P
100, 100, 100% (3/2,3/2)
100, 100, 100% 3P
1
3P
81, 78, 75% (3/2,3/2)
84, 85, 86% 3P + 16, 14, 12% 3D + 0, 1, 2% 1P
3D
63,66, 66% (3/2,5/2)
68, 65, 63% 3D + 22, 27, 32% 1P + 10, 8, 5% 3P
1P
80, 85, 89% (1/2,3/2)
78, 72, 66% 1P + 16, 20, 25% 3D + 6, 8, 9% 3P
2
1D
70, 73, 77% (3/2,5/2)
75, 74, 73% 1D + 17, 15, 14% 3F + 8, 10, 12% 3P
3D
67, 72, 76% (3/2,3/2)
45, 49, 51% 3D + 31, 31, 31% 3P + 23, 20, 18% 3F
3F
93, 96, 98% (1/2,3/2)
59, 63, 66% 3F + 19, 20, 20% 1D + 12, 9, 7% 3D
3P
97,98, 98% (1/2,5/2)
51, 51, 51% 3P + 43, 42, 41% 3D + 5, 6, 6% 1D
3
3F
66, 63, 60% (3/2,3/2)
79, 72, 65% 3F + 21, 27, 34% 3D
3D
66, 62, 58% (3/2,5/2)
75, 66, 57% 3D + 17, 22, 28% 3F + 8, 12, 15% 1F
1F
62, 67, 71% (1/2,5/2)
91, 88, 84% 1F + 5, 7,9% 3D + 4, 5, 7% 3F
4
3F
100, 100, 100% (3/2,5/2)
100, 100, 100% 3F
Table 7
Differences between Observed Level Values and Those Calculated with the Fitted Values of the Parameters for the 3p6 3d8 and 3p5 3d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii (in cm−1)
Configuration
J
Term
Sr xiii
Y xiv
Zr xv
Nb xvi
Mo xvii
3p6 3d8
0
3P
110
100
110
30
10
1S
−20
10
30
40
70
1
3P
−110
10
70
190
220
2
3F
220
220
210
180
−10
3P
80
−110
−220
−250
−230
1D
−80
−130
−180
−240
−290
3
3F
−90
30
150
270
420
4
3F
−130
−110
−160
−180
−150
1G
0
−10
−20
−20
−40
3p5 3d9
0
3P
10
100
90
160
120
1
3P
−110
−240
−280
−410
−370
3D
100
−10
−60
−150
−220
1P
−30
0
30
70
120
2
1D
10
20
30
50
60
3D
80
150
230
310
340
3F
−70
−110
−170
−240
−290
3P
90
110
160
200
220
3
3F
100
120
200
250
330
3D
−190
−140
−220
−270
−360
1F
20
10
30
40
70
4
3F
−30
−40
−40
−20
0
Tables (7)
Table 1
Observed 3p6 3d8–3p5 3d9 Transitions in Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xviia
Symbols: bl, blend of two lines; h, hazy; p, perturbed by close line.
Present value for line given originally by Bogdanovichene et al., Ref. 2.
Present value for line given originally by Bogdanovichene et al., Ref. 2, and by Burkhalter et al., Ref. 3.
Present value for line given originally by Bogdanovichene et al., Ref. 2, revised classification.
Doubly classified.
Blended with 96.731 Å of Ti. (The Sr exposures were made with an anode of Sr and a cathode of Ti.)
Blended with a line of Zr xii; see Ref. 7.
Table 2
Energy Levels (in cm−1) of the 3p6 3d8 and 3p5 3d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii
Energy Parameters (in cm−1) and Mean Errors Δ of Least-Squares Fits for the 3p6 3d8 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii.a
Ion
Parameter
HF
Fitted
Fitted–HF
Sr xiii
Eav
36 440
34 031 ± 63
F2(3d3d)
214 978
194 218 ± 513
0.903 ± 0.002
F4(3d3d)
136 981
115 570 ± 468
0.844 ± 0.003
α(3d3d)
203 ± 12
ζ3d
6 133
6 207 ± 74
1.012 ± 0.012
Δ
167
Y xiv
Eav
39 578
37 009 ± 61
F2(3d3d)
225 641
204 477 ± 496
0.906 ± 0.002
F4(3d3d)
143 929
123 560 ± 456
0.858 ± 0.003
α(3d3d)
171 ± 11
ζ3d
7 196
7 226 ± 70
1.004 ± 0.010
Δ
161
Zr xv
Eav
42 883
40 323 ± 82
F2(3d3d)
236 241
215 429 ± 678
0.912 ± 0.003
F4(3d3d)
150 838
131 717 ± 627
0.873 ± 0.004
α(3d3d)
156 ± 15
ζ3d
8 388
8 365 ± 92
0.997 ± 0.011
Δ
218
Nb xvi
Eav
46 430
43 903 ± 103
F2(3d3d)
246 787
226 602 ± 847
0.918 ± 0.003
F4(3d3d)
157 711
140 221 ± 789
0.889 ± 0.005
α(3d3d)
138 ± 19
ζ3d
9 717
9 641 ± 108
0.992 ± 0.011
Δ
272
Mo xvii
Eav
50 238
47 735 ± 118
F2(3d3d)
257 286
238 019 ± 975
0.925 ± 0.004
F4(3d3d)
164 554
149 180 ± 918
0.907 ± 0.006
α(3d3d)
123 ± 22
ζ3d
11 195
11 080 ± 117
0.990 ± 0.010
Δ
312
The value of Eav listed in the HF column is that obtained by diagonalizing the energy matrix with the HF parameters, 3F4 level set at zero.
Table 4
Percentage Compositions for the 3p6 3d8 Levels of Sr xiii, Zr xv, and Mo xvii
J
Term
Percentage Composition (LS)
0
3P
96, 95, 93% 3P + 4, 5,7% 1S
1S
96, 95, 93% 1S + 4, 5, 7% 3P
1
3P
100, 100, 100% 3P
2
3F
79, 69, 57% 3F + 19, 27, 34% 1D + 2, 4, 9% 3P
3P
47, 52, 55% 3P + 37, 24, 12% 1D + 16, 24, 33% 3F
1D
45, 50, 52% 1D + 51, 43, 37% 3P + 4, 7, 11% 3F
3
3F
100, 100, 100% 3F
4
3F
99, 99, 98% 3F + 1, 1, 2% 1G
1G
99, 99, 98% 1G + 1, 1, 2% 3F
Table 5
Energy Parameters (in cm−1) and Mean Errors Δ of Least-Squares Fits for the 3p53d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii
Ion
Parameter
HF
Fitted
Fitted–HF
Sr xiii
Eav
1 112 692
1 131 577 ± 46
F2(3p3d)
202 415
193 004 ± 546
0.954 ± 0.003
G1(3p3d)
235 516
199 797 ± 237
0.848 ± 0.001
G3(3p3d)
150 323
141 352 ± 456
0.940 ± 0.003
D1(3p3d)
−13 736 ± 412
X2(3p3d)
−6 063 ± 569
ζ3p
55 838
58 728 ± 87
1.052 ± 0.002
ζ3d
6 096
5 984 ± 60
0.982 ± 0.010
Δ
148
Y xiv
Eav
1 166 512
1 192 951 ± 60
F2(3p3d)
210 891
201 963 ± 736
0.958 ± 0.003
G1(3p3d)
244 026
208 819 ± 312
0.856 ± 0.001
G3(3p3d)
156 264
147 262 ± 617
0.942 ± 0.004
D1(3p3d)
−13 522 ± 544
X2(3p3d)
−5 883 ± 743
ζ3p
63 880
67 429 ± 110
1.056 ± 0.002
ζ3d
7 152
7 004 ± 78
0.979 ± 0.011
Δ
193
Zr xv
Eav
1 220 111
1 255 174 ± 83
F2(3p3d)
219 314
210 733 ± 1056
0.961 ± 0.005
G1(3p3d)
252 433
218 008 ± 438
0.864 ± 0.002
G3(3p3d)
162 142
153 534 ± 889
0.947 ± 0.005
D1(3p3d)
−13 722 ± 764
X2(3p3d)
−6 304 ± 1038
ζ3p
72 760
77 094 ± 148
1.060 ± 0.002
ζ3d
8 335
8 162 ± 107
0.979 ± 0.013
Δ
267
Nb xvi
Eav
1 274 595
1 318 169 ± 117
F2(3p3d)
227 690
219 792 ± 1527
0.965 ± 0.007
G1(3p3d)
260 752
226 922 ± 622
0.870 ± 0.002
G3(3p3d)
167 965
159 526 ± 1295
0.950 ± 0.008
D1(3p3d)
−13 771 ± 1085
X2(3p3d)
−7 039 ± 1469
ζ3p
82 533
87 640 ± 204
1.062 ± 0.002
ζ3d
9 657
9 475 ± 148
0.981 ± 0.015
Δ
374
Mo xvii
Eav
1 328 831
1 382 222 ± 132
F2(3p3d)
236 026
228 252 ± 1772
0.967 ± 0.008
G1(3p3d)
268 994
235 911 ± 713
0.877 ± 0.003
G3(3p3d)
173 740
165 595 ± 1518
0.953 ± 0.009
D1(3p3d)
−14 052 ± 1242
X2(3p3d)
−6 745 ± 1679
ζ3p
93 255
99 559 ± 226
1.068 ± 0.002
ζ3d
11 125
10 918 ± 166
0.981 ± 0.015
O
422
Table 6
Percentage Compositions for the 3p5 3d9 Levels of Sr xiii, Zr xv, and Mo xvii
J
Term
Percentage jj
Percentage Composition (LS)
0
3P
100, 100, 100% (3/2,3/2)
100, 100, 100% 3P
1
3P
81, 78, 75% (3/2,3/2)
84, 85, 86% 3P + 16, 14, 12% 3D + 0, 1, 2% 1P
3D
63,66, 66% (3/2,5/2)
68, 65, 63% 3D + 22, 27, 32% 1P + 10, 8, 5% 3P
1P
80, 85, 89% (1/2,3/2)
78, 72, 66% 1P + 16, 20, 25% 3D + 6, 8, 9% 3P
2
1D
70, 73, 77% (3/2,5/2)
75, 74, 73% 1D + 17, 15, 14% 3F + 8, 10, 12% 3P
3D
67, 72, 76% (3/2,3/2)
45, 49, 51% 3D + 31, 31, 31% 3P + 23, 20, 18% 3F
3F
93, 96, 98% (1/2,3/2)
59, 63, 66% 3F + 19, 20, 20% 1D + 12, 9, 7% 3D
3P
97,98, 98% (1/2,5/2)
51, 51, 51% 3P + 43, 42, 41% 3D + 5, 6, 6% 1D
3
3F
66, 63, 60% (3/2,3/2)
79, 72, 65% 3F + 21, 27, 34% 3D
3D
66, 62, 58% (3/2,5/2)
75, 66, 57% 3D + 17, 22, 28% 3F + 8, 12, 15% 1F
1F
62, 67, 71% (1/2,5/2)
91, 88, 84% 1F + 5, 7,9% 3D + 4, 5, 7% 3F
4
3F
100, 100, 100% (3/2,5/2)
100, 100, 100% 3F
Table 7
Differences between Observed Level Values and Those Calculated with the Fitted Values of the Parameters for the 3p6 3d8 and 3p5 3d9 Configurations of Sr xiii, Y xiv, Zr xv, Nb xvi, and Mo xvii (in cm−1)