tin selenide

Formula: SeSn
Molecular weight: 197.67
IUPAC Standard InChI: InChI=1S/Se.Sn
IUPAC Standard InChIKey: MFIWAIVSOUGHLI-UHFFFAOYSA-N
CAS Registry Number: 1315-06-6
Chemical structure:
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Other names: Tin monoselenide
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Gas phase ion energetics data

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Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.7 ± 0.5	EI	Colin and Drowart, 1964	RDSH
9.092 ± 0.010	PE	Wang, Niu, et al., 1990	Vertical value; LL
9.0	PE	White, Rosenberg, et al., 1979	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
Se⁺	12.7 ± 0.5	Sn	EI	Colin and Drowart, 1964	RDSH
Sn⁺	12.8 ± 0.5	Se	EI	Colin and Drowart, 1964	RDSH

Constants of diatomic molecules

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Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through August, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ⁽¹²⁰⁾Sn⁽⁸⁰⁾Se
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
F	(47850)	(290)									F ← X R	(47830) H
F	↳missing citation
E	30738.9	196.6 H	0.77 1	-1.6E-3							E ↔ X R	30671.6 H
E	↳Barrow and Vago, 1943; missing citation
D	27549.6	225.1 H	0.69								D ↔ X R	27496.6 H
D	↳Walker, Straley, et al., 1938; missing citation; missing citation
A definitive analysis of the visible asborption bands (15800 - 23800 cm^-1) is still lacking. At least three or four systems seem to be present with upper state frequenices of ~226 and 218 cm^-1, but there is considerable disagreement concerning the assignments of the bands.
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X ¹Σ⁺	0	331.2 H	0.736		0.0649977₇ 2	0.0001704₈	-1.3E-7	1.1E-8		2.325601 3
	↳Marino, Guerin, et al., 1974
	Microwave sp. 4
	↳Hoeft, 1966

Notes

Vibrational levels observed to v=29; a short extrapolation yields a dissociation limit at 35470 cm^-1 while the banded absorption seems to go over into a continuum at 36570 cm^-1.

Rotational constants for ¹²⁰Sn⁸⁰Se; see Hoeft, 1966 who gives similar data for 28 other isotopic molecules.

IR spectrum 6

μ_el(v=0) = 2.82 D Hoeft, Lovas, et al., 1969, from Stark effect of microwave spectra Hoeft, Lovas, et al., 1969.

From thermochemical data (mass-spectrometry) Colin and Drowart, 1964, recalculated with D₀⁰(Se₂) = 3.411 eV (see Se₂ note a). Assuming dissociation into ³P₁ + ³P₁ at the dissociation limit of the E state [see 1 and Barrow, 1970] gives D₀⁰ = 4.0₈ eV.

In argon matrix.

References

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Colin and Drowart, 1964
Colin, R.; Drowart, J., Thermodynamic study of tin selenide and tin telluride using a mass spectrometer, J. Chem. Soc. Faraday Trans., 1964, 60, 673. [all data]

Wang, Niu, et al., 1990
Wang, L.; Niu, W.B.; Lee, T.; Shirley, D.A., Photoelectron spectroscopy and electronic structure of heavy group IV-VI diatomics, J. Chem. Phys., 1990, 92, 899. [all data]

White, Rosenberg, et al., 1979
White, M.G.; Rosenberg, R.A.; Lee, S.T.; Shirley, D.A., The He(I) photoelectron spectroscopy of heavy group IV-VI diatomics, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 323. [all data]

Barrow and Vago, 1943
Barrow, R.F.; Vago, E.E., The band spectrum of SnSe in emission, Proc. Phys. Soc. London, 1943, 55, 326. [all data]

Walker, Straley, et al., 1938
Walker, J.W.; Straley, J.W.; Smith, A.W., Band spectra of PbSe, SnSe and PbTe in absorption, Phys. Rev., 1938, 53, 140. [all data]

Marino, Guerin, et al., 1974
Marino, C.P.; Guerin, J.D.; Nixon, E.R., Infrared spectra of some matrix-isolated germanium, tin, and lead chalcogenides, J. Mol. Spectrosc., 1974, 51, 160. [all data]

Hoeft, 1966
Hoeft, J., Das Mikrowellenrotationsspektrum des SnSe, Z. Naturforsch. A, 1966, 21, 437. [all data]

Hoeft, Lovas, et al., 1969
Hoeft, J.; Lovas, F.J.; Tiemann, E.; Torring, T., Elektrisches Dipolomoment von SnSe und SnTe, Z. Naturforsch. A, 1969, 21, 1843. [all data]

Barrow, 1970
Barrow, In Rosen, 1970, 1970, 376. [all data]

Rosen, 1970
Rosen, B., International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]

Notes

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Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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