Valence states of the SiS molecule: Analysis of perturbations in the A1Π- X1Σ + system
The results of a detailed rotational analysis of bands of the A 1Π- X 1Σ + systems both of 28SiS and of 30SiS are given. Perturbations caused by interactions with two singlet states, D 1Δ and C 1Σ −, and with two triplet states, e 3Σ − and d 3Δ, are analyzed. The use of three different methods, base...
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Published in | Journal of molecular spectroscopy Vol. 91; no. 1; pp. 35 - 59 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
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Elsevier Inc
1982
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Abstract | The results of a detailed rotational analysis of bands of the
A
1Π-
X
1Σ
+ systems both of
28SiS and of
30SiS are given. Perturbations caused by interactions with two singlet states,
D
1Δ and
C
1Σ
−, and with two triplet states,
e
3Σ
− and
d
3Δ, are analyzed. The use of three different methods, based (i) on Franck-Condon factors, (ii) on isotope shifts, and (iii) on the identification of perturbing levels which cross more than one vibrational level of
A
1Π, to determine the vibrational numbering in the perturbing states is examined and for three of the above electronic states an unambiguous numbering is derived. Two alternative consecutive vibrational numberings for
D
1Δ are suggested. Method (i) is unreliable here, because of the very high vibrational quantum numbers of the levels that perturb
A
1Π. RKR potentials are constructed and thence, with calculated Franck-Condon factors, values of the electronic interaction constants are derived for the interactions between the perturbing states and
A
1Π. The values so obtained are compared with those for CO, CS, and SiO, and with estimates from ab initio calculations. |
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AbstractList | The results of a detailed rotational analysis of bands of the
A
1Π-
X
1Σ
+ systems both of
28SiS and of
30SiS are given. Perturbations caused by interactions with two singlet states,
D
1Δ and
C
1Σ
−, and with two triplet states,
e
3Σ
− and
d
3Δ, are analyzed. The use of three different methods, based (i) on Franck-Condon factors, (ii) on isotope shifts, and (iii) on the identification of perturbing levels which cross more than one vibrational level of
A
1Π, to determine the vibrational numbering in the perturbing states is examined and for three of the above electronic states an unambiguous numbering is derived. Two alternative consecutive vibrational numberings for
D
1Δ are suggested. Method (i) is unreliable here, because of the very high vibrational quantum numbers of the levels that perturb
A
1Π. RKR potentials are constructed and thence, with calculated Franck-Condon factors, values of the electronic interaction constants are derived for the interactions between the perturbing states and
A
1Π. The values so obtained are compared with those for CO, CS, and SiO, and with estimates from ab initio calculations. |
Author | Harris, S.M. Field, R.W. Barrow, R.F. Gottscho, R.A. |
Author_xml | – sequence: 1 givenname: S.M. surname: Harris fullname: Harris, S.M. organization: Physical Chemistry Laboratory, Oxford University, Oxford OX1 3QZ, England – sequence: 2 givenname: R.A. surname: Gottscho fullname: Gottscho, R.A. organization: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 USA – sequence: 3 givenname: R.W. surname: Field fullname: Field, R.W. organization: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 USA – sequence: 4 givenname: R.F. surname: Barrow fullname: Barrow, R.F. organization: Physical Chemistry Laboratory, Oxford University, Oxford OX1 3QZ, England |
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Snippet | The results of a detailed rotational analysis of bands of the
A
1Π-
X
1Σ
+ systems both of
28SiS and of
30SiS are given. Perturbations caused by interactions... |
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StartPage | 35 |
Title | Valence states of the SiS molecule: Analysis of perturbations in the A1Π- X1Σ + system |
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