Fig. 1. Potential energy curves of 14 excited states of Sr35Cl.
Sr35Cl分子14个激发态的势能曲线
Fig. 2. Permanent dipole moments of 5 bound states of Sr35Cl.
Sr35Cl分子5个束缚态的电偶极矩
Fig. 3. Transition dipole moments of 5 bound states of Sr35Cl.
Sr35Cl分子5个束缚态的跃迁偶极矩
Λ-S态 | Te/cm−1 | Re/nm
| $\omega $![]() e/cm−1 | $\omega $![]() e$\chi $![]() e/cm−1 | Be/cm−1 | 104αe/cm−1 | De/eV
| Re附近主要电子组态(%)
| $ {{\rm{X}}^{2}}\Sigma^+$![]() ![]() | 0.0 | 0.2575 | 309.78 | 0.8682 | 0.1016 | 4.131 | 3.703 | 6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 2(78.8)
6
${\rm{\sigma }}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() α3
$\text{π}$![]() 24
$\text{π}$![]() 2(7.5)
| 理论[26] | 0.0 | 0.255 | 313 | 0.93 | 0.1037 | — | — | | 实验[15] | 0.0 | 0.257 | 302[27] | 0.95[27] | — | — | — | | 实验[16] | 0.0 | — | 302.448 | −0.9502 | 0.1016 | 4.524 | — | | 实验[12] | 0.0 | — | 302.3 | 0.950 | — | — | — | | $ {{\rm{A}}^{2}}\Pi$![]() ![]() | 15779.16 | 0.2518 | 330.69 | — | 0.1061 | 2.013 | 1.673 | 6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() 03
$\text{π}$![]() ααβ 4
$\text{π}$![]() 2(85.7)
| 理论[26] | 14730 | 0.252 | 323 | 0.95 | 0.1055 | — | — | | 实验[15] | 14818 | 0.255 | 309[27] | 0.98[27] | — | — | — | | 实验[16] | 14966.727 | — | 309.625 | 0.996 | 0.1030 | 4.606 | — | | $ {{\rm{B}}^{2}}\Sigma^+$![]() ![]() | 16612.74 | 0.2538 | 318.67 | 0.4874 | 0.1043 | 2.599 | 1.937 | 6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 2(78.8)
6
${\rm{\sigma }}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() α3
$\text{π}$![]() 24
$\text{π}$![]() 2(7.6)
| 理论[26] | 15714 | 0.253 | 319 | 0.99 | 0.1055 | — | — | | 实验[15] | 15719 | 0.255 | 306[27] | 0.98[27] | 0.1030[16] | — | — | | 实验[12] | 15719.5 | — | 306.4 | 0.98 | — | — | — | — | $ {{\rm{C}}^{2}}\Pi$![]() ![]() | 33532.99 | 0.3477 | 425.57 | 15.5691 | 0.0554 | −11.932 | 1.546 | 6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() 03
$\text{π}$![]() ααβ 4
$\text{π}$![]() 2(59.7)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 29
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 2(13.4)
6
$\text{σ}$![]() 27
$\text{σ}$![]() α8
$\text{σ}$![]() β9
$\text{σ}$![]() 03
$\text{π}$![]() ααβ 4π2(9.8)
6
$\text{σ}$![]() 27
$\text{σ}$![]() α8
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() αββ 4
$\text{π}$![]() 2(2.7)
| 理论[26] | 26688 | 0.259 | 278 | 0.83 | 0.1095 | — | — | | 实验[27] | 26099 | — | 270 | 0.72 | — | — | — | | $ {{\rm{3}}^{2}}\Sigma^+$![]() ![]() | 36625.55 | 0.3519 | 392.49 | 10.4544 | 0.0544 | −12.567 | 1.140 | 6
$\text{σ}$![]() 27
$\text{σ}$![]() α8
$\text{σ}$![]() 29
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 2(51.0)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() α3
$\text{π}$![]() 24
$\text{π}$![]() 2(16.4)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() ααβ 4
$\text{π}$![]() 2(4.6)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() β4
$\text{π}$![]() ααβ (4.6)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 2(2.5)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() α9
$\text{σ}$![]() 03
$\text{π}$![]() αββ 4
$\text{π}$![]() 2(1.6)
6
$\text{σ}$![]() 27
$\text{σ}$![]() 28
$\text{σ}$![]() 09
$\text{σ}$![]() α3
$\text{π}$![]() α4
$\text{π}$![]() αββ (1.6)
6
$\text{σ}$![]() 27
$\text{σ}$![]() α8
$\text{σ}$![]() 09
$\text{σ}$![]() 03
$\text{π}$![]() 44
$\text{π}$![]() 2(1.5)
6
$\text{σ}$![]() 27
$\text{σ}$![]() α8
$\text{σ}$![]() 09
$\text{σ}$![]() 03
$\text{π}$![]() 24
$\text{π}$![]() 4(1.5)
| 理论[26] | 27979 | 0.248 | 358 | 1.01 | 0.1095 | — | — | | 实验[15] | 28822 | — | 344[27] | 1.04[27] | 0.1030[16] | — | — | |
|
Table 1. Spectroscopic constants of the 5 bound states.
5个束缚态的光谱常数
| v | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | $ {{\rm{X}}^{2}}\Sigma^+$![]() ![]() | Gv/cm−1 | 0 | 308.69 | 615.44 | 919.34 | 1220.80 | 1520.91 | 1820.07 | 2118.05 | 2414.53 | 2709.33 | Bv/cm−1 | 0.101389 | 0.100964 | 0.100567 | 0.100209 | 0.099815 | 0.099369 | 0.098910 | 0.098467 | 0.098043 | 0.097629 | 108Dv/cm−1 | 4.351839 | 4.364577 | 4.467493 | 4.497514 | 4.362226 | 4.242542 | 4.234360 | 4.286016 | 4.334124 | 4.353049 | $ {{\rm{A}}^{2}}\Pi$![]() ![]() | Gv/cm−1 | 15953.74 | 16281.83 | 16598.43 | 16930.62 | 17269.01 | 17605.65 | 17940.04 | 18272.59 | 18603.52 | 18933.04 | Bv/cm−1 | 0.106234 | 0.106462 | 0.106095 | 0.105137 | 0.104604 | 0.104235 | 0.103859 | 0.103475 | 0.103082 | 0.102679 | 108Dv/cm−1 | 4.461909 | 5.111509 | 3.253476 | 3.332790 | 4.007870 | 4.130323 | 4.085546 | 4.040997 | 3.976138 | 3.938946 | $ {{\rm{B}}^{2}}\Sigma^+$![]() ![]() | Gv/cm−1 | 16777.58 | 17097.77 | 17402.46 | 17705.63 | 18020.44 | 18339.16 | 18656.69 | 18972.44 | 19286.60 | 19599.30 | Bv/cm−1 | 0.104260 | 0.104168 | 0.104392 | 0.103697 | 0.102831 | 0.102297 | 0.101900 | 0.101515 | 0.101130 | 0.100741 | 108Dv/cm−1 | 4.416717 | 5.342062 | 4.947374 | 3.120903 | 3.500412 | 4.129428 | 4.273733 | 4.244199 | 4.206411 | 4.139361 | $ {{\rm{C}}^{2}}\Pi$![]() ![]() | Gv/cm−1 | 33822.25 | 34298.68 | 34607.21 | 34880.81 | 35124.57 | 35352.15 | 35566.01 | 35770.85 | 35971.25 | 36169.15 | Bv/cm−1 | 0.056049 | 0.057354 | 0.058912 | 0.059995 | 0.060974 | 0.062071 | 0.063032 | 0.063843 | 0.064515 | 0.065071 | 108Dv/cm−1 | 0.293093 | 1.069720 | 1.371596 | 2.128287 | 2.433073 | 3.023576 | 3.386636 | 3.382563 | 3.426546 | 3.529599 | $ {{\rm{3}}^{2}}\Sigma^+$![]() ![]() | Gv/cm−1 | 36879.56 | 37294.02 | 37638.56 | 37944.07 | 38221.43 | 38480.16 | 38726.99 | 38965.82 | 39199.02 | 39428.18 | Bv/cm−1 | 0.055079 | 0.056481 | 0.057758 | 0.059028 | 0.060242 | 0.061377 | 0.062432 | 0.063414 | 0.064332 | 0.065193 | 108Dv/cm−1 | 0.363052 | 0.690909 | 1.002658 | 1.373820 | 1.690530 | 1.922724 | 2.122355 | 2.300506 | 2.453955 | 2.583320 |
|
Table 2. The Gv, Bv and Dv of
,
,
,
and
states of Sr35Cl.
Sr35Cl分子
,
,
,
和
的Gv, Bv和Dv值
| v′′ = 0
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | $ {{\rm{A}}^{2}}\Pi$![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | v′ = 0
| 0.656888 | 0.266608 | 0.062027 | 0.011563 | 0.002170 | 0.000520 | 0.000163 | 0.000048 | 0.000007 | 0.000000 | 1 | 0.272308 | 0.192420 | 0.320947 | 0.150685 | 0.466479 | 0.012567 | 0.033544 | 0.008655 | 0.000174 | 0.000137 | 2 | 0.061741 | 0.365100 | 0.012591 | 0.236003 | 0.200935 | 0.086356 | 0.027568 | 0.007557 | 0.001791 | 0.000312 | 3 | 0.008378 | 0.145153 | 0.330434 | 0.013476 | 0.132392 | 0.200767 | 0.112395 | 0.041433 | 0.012093 | 0.002903 | 4 | 0.000641 | 0.027499 | 0.211170 | 0.231162 | 0.064589 | 0.062086 | 0.184983 | 0.134977 | 0.058263 | 0.018761 | 5 | 0.000040 | 0.003015 | 0.053925 | 0.25428 | 0.132467 | 0.115528 | 0.018774 | 0.155878 | 0.151198 | 0.077211 | 6 | 0.000004 | 0.000182 | 0.008221 | 0.084623 | 0.271397 | 0.058393 | 0.151118 | 0.000803 | 0.117380 | 0.157174 | 7 | 0.000000 | 0.000021 | 0.006253 | 0.016398 | 0.117920 | 0.263055 | 0.014702 | 0.164939 | 0.005113 | 0.077068 | 8 | 0.000000 | 0.000000 | 0.000052 | 0.001674 | 0.027547 | 0.151418 | 0.233623 | 0.000068 | 0.157208 | 0.024940 | 9 | 0.000000 | 0.000000 | 0.000007 | 0.000118 | 0.003627 | 0.041888 | 0.181283 | 0.190225 | 0.008630 | 0.133109 | $ {{\rm{B}}^{2}}\Sigma^+$![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | v′ = 0
| 0.861288 | 0.125494 | 0.011927 | 0.001065 | 0.000142 | 0.000047 | 0.000025 | 0.000091 | 0.000000 | 0.000000 | 1 | 0.129692 | 0.603795 | 0.220001 | 0.038332 | 0.006251 | 0.001365 | 0.000411 | 0.000120 | 0.000019 | 0.000000 | 2 | 0.008650 | 0.241321 | 0.360072 | 0.284163 | 0.081308 | 0.018646 | 0.004456 | 0.001109 | 0.000226 | 0.000018 | 3 | 0.000365 | 0.027661 | 0.352567 | 0.179385 | 0.288215 | 0.112584 | 0.030079 | 0.007227 | 0.001600 | 0.000265 | 4 | 0.000002 | 0.001707 | 0.051462 | 0.411903 | 0.083378 | 0.268533 | 0.131641 | 0.039281 | 0.009668 | 0.002055 | 5 | 0.000001 | 0.000017 | 0.003843 | 0.078423 | 0.421433 | 0.034730 | 0.246976 | 0.148790 | 0.049663 | 0.012870 | 6 | 0.000000 | 0.000000 | 0.000117 | 0.006341 | 0.108918 | 0.407382 | 0.009402 | 0.221296 | 0.163711 | 0.061334 | 7 8 | 0.000000 0.000000 | 0.000003 0.000002 | 0.000001 0.000007 | 0.000333 0.000002 | 0.009581 0.000763 | 0.141252 0.014168 | 0.381199 0.173321 | 0.000074 0.346687 | 0.190975 0.003801 | 0.174597 0.158106 | 9 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.001272 | 0.020484 | 0.203605 | 0.306437 | 0.017104 | $ {{\rm{C}}^{2}}\Pi$![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | v′ = 0
| 0.000002 | 0.000057 | 0.000400 | 0.002491 | 0.013257 | 0.048381 | 0.121107 | 0.211164 | 0.245963 | 0.199742 | 1 | 0.000028 | 0.000755 | 0.003923 | 0.016478 | 0.054711 | 0.112499 | 0.129055 | 0.063035 | 0.000478 | 0.054393 | 2 | 0.000216 | 0.004536 | 0.018057 | 0.052861 | 0.110648 | 0.119527 | 0.040456 | 0.002385 | 0.059184 | 0.058927 | 3 | 0.000894 | 0.014294 | 0.042688 | 0.083192 | 0.097065 | 0.033697 | 0.003920 | 0.060262 | 0.039865 | 0.000817 | $ {{\rm{3}}^{2}}\Sigma^+$![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | v′ = 0
| 0.000005 | 0.000160 | 0.001014 | 0.005583 | 0.025973 | 0.082035 | 0.174625 | 0.263266 | 0.237744 | 0.147940 | 1 | 0.000072 | 0.001726 | 0.007985 | 0.028959 | 0.080861 | 0.133268 | 0.106890 | 0.018946 | 0.019348 | 0.137924 | 2 | 0.000444 | 0.008122 | 0.028147 | 0.068699 | 0.114064 | 0.085695 | 0.008341 | 0.025544 | 0.075168 | 0.024261 | 3 | 0.001887 | 0.025614 | 0.064048 | 0.096749 | 0.076464 | 0.007949 | 0.023664 | 0.062244 | 0.010184 | 0.021472 | 4 | 0.005823 | 0.057375 | 0.098715 | 0.079207 | 0.013459 | 0.015420 | 0.056215 | 0.010480 | 0.018687 | 0.044825 | 5 | 0.013104 | 0.091074 | 0.099009 | 0.027450 | 0.005603 | 0.051927 | 0.016773 | 0.012448 | 0.040966 | 0.001448 | 6 | 0.023467 | 0.109148 | 0.062336 | 0.000039 | 0.043234 | 0.033313 | 0.003366 | 0.042212 | 0.004752 | 0.023015 | 7 | 0.036552 | 0.106016 | 0.020316 | 0.019085 | 0.055807 | 0.001734 | 0.035028 | 0.017051 | 0.012699 | 0.031310 | 8 | 0.052050 | 0.085867 | 0.000431 | 0.051861 | 0.028088 | 0.011562 | 0.037256 | 0.000833 | 0.036176 | 0.001957 | 9 | 0.069548 | 0.057189 | 0.008529 | 0.060907 | 0.001791 | 0.038489 | 0.008713 | 0.024666 | 0.015229 | 0.013407 |
|
Table 3. The Franck-Condon factors of the transitions
−
,
−
,
−
and
−
.
Sr35Cl分子
—
,
—
,
—
和
—
跃迁的Franck-Condon因子
Transition | Radiative lifetimes/ns | v′ = 0
| v′ = 1
| v′ = 2
| $ {{\rm{A}}^{2}}\Pi $![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | 31.23 | 31.35 | 31.56 | $ {{\rm{B}}^{2}}\Pi $![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | 38.83 | 38.89 | 39.12 | $ {{\rm{C}}^{2}}\Pi$![]() —
$ {{\rm{X}}^{2}}\Sigma^+ $![]() ![]() | 25.92 | 26.01 | 26.18 |
|
Table 4. Radiative lifetimes of the transitions
−
,
−
and
−
.
Sr35Cl分子
—
,
—
和
—
跃迁的辐射寿命