Bromosilylidyne

Formula: BrSi
Molecular weight: 107.989
IUPAC Standard InChI: InChI=1S/BrHSi/c1-2/h2H
IUPAC Standard InChIKey: DUTDIJCKAAVQLW-UHFFFAOYSA-N
CAS Registry Number: 14791-57-2
Chemical structure:
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Constants of diatomic molecules

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

Data collected through September, 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 ⁽²⁸⁾Si⁽⁷⁹⁾Br
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
Fragments of two other emission systems (30100 - 31500, 34900 - 36900 cm^-1) tentatively assigned to SiBr or SiBr⁺.
↳Asundi and Karim, 1938
Additional absorption bands at 45762, 46266, 46343, 46693, 47445 cm^-1.
↳Oldershaw and Robinson, 1971
(F)		[505] $aH									(F) ← X	45017 H
(F)	↳Oldershaw and Robinson, 1971
E	(44560)	552 H	1.5 1								E ← X V	(44201) )H
	↳Oldershaw and Robinson, 1971
	44521	552 H	1.5 1								E ← X V	44585 H
	↳Oldershaw and Robinson, 1971
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
D	44017	[565] $bH									D ← X V	44088 H
D	↳Oldershaw and Robinson, 1971
C (²Π)	41060	531 $cH	2.0								C ← X V	40690 $cH
	↳Oldershaw and Robinson, 1971
	41051	531 $cH	2.0								C ← X V	41104 $cH
	↳Oldershaw and Robinson, 1971
B (²Σ)	33572.₄	571.₂ H	2.4		2 3						B ↔ X V	33223.₁ H
	↳missing citation; Jevons and Bashford, 1937; Kuznetsova, Kuz'menko, et al., 1968; Oldershaw and Robinson, 1971
	33572.₄	571.₂ H	2.4		2 3						B ↔ X V	33645.₁ H
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
B' (²Δ)	23911	395 H	4								B' → X R	23473 H^Q
	↳Kuznetsova and Kuzyakov, 1969
	23889	395 H	4								B' → X R	23874 H^Q
	↳Kuznetsova and Kuzyakov, 1969
A (²Σ)	20937.₆	250.₃ H	0.5								A → X R	(20428)
	↳Kuznetsova and Kuzyakov, 1969; Rao and Haranath, 1969
	20937.₆	250.₃ H	0.5								A → X R	20850.₉ H
	↳Kuznetsova and Kuzyakov, 1969; Rao and Haranath, 1969
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 ²Π_r	423.₁ 4	424.₃ H	1.5		3
X ²Π_r	0	424.₃ H	1.5		3

Notes

Bands with v'=1 and 2 are diffuse.

Emission bands with v'>2 have not been observed.

Kuznetsova and Kuzyakov, 1969, 2 report the following rotational constants for the B-X bands: B'₀ = 0.1771 Kuznetsova and Kuzyakov, 1969, 2, B"₀(²Π_1/2) = 0.1598 Kuznetsova and Kuzyakov, 1969, 2. See also Mishra and Khanna, 1972 who give considerably different results.

From Kuznetsova, Kuz'menko, et al., 1968; Jevons and Bashford, 1937 prefer a doublet separation of 418.0 cm^-1 leading to slightly different constants.

Only two bands; it is not certain that they belong to the same system.

It is possible that the v'=1 progression is in fact a separate system D' ← X.

Vibrational numbering uncertain.

Br isotope shifts clearly observed.

References

Go To: Top, Constants of diatomic molecules, Notes

Asundi and Karim, 1938
Asundi, R.K.; Karim, S.M., On the emission spectrum of SiBr₄, Proc. Indian Acad. Sci. Sect. A, 1938, 6, 281. [all data]

Oldershaw and Robinson, 1971
Oldershaw, G.A.; Robinson, K., Ultra-violet spectrum of SiBr, Trans. Faraday Soc., 1971, 67, 1870. [all data]

Jevons and Bashford, 1937
Jevons, W.; Bashford, L.A., Ultra-violet band systems of SnBr and SiBr, Proc. Phys. Soc. London, 1937, 49, 554. [all data]

Kuznetsova, Kuz'menko, et al., 1968
Kuznetsova, L.A.; Kuz'menko, N.E.; Kuzyakov, Yu.Ya., Analysis of the vibrational structure of the SiBr emission spectrum, Moscow Univ. Chem. Bull. Engl. Transl., 1968, 23, 18, In original 30. [all data]

Kuznetsova and Kuzyakov, 1969
Kuznetsova, L.A.; Kuzyakov, Yu.Ya., Emission spectrum of a glow discharge in SiBr₄ vapor, J. Appl. Spectrosc. Engl. Transl., 1969, 10, 278, In original 413. [all data]

Rao and Haranath, 1969
Rao, K.B.; Haranath, P.B.V., The emission band spectrum of SiBr in the visible region, J. Phys. B:, 1969, 2, 1381. [all data]

Kuznetsova and Kuzyakov, 1969, 2
Kuznetsova, L.A.; Kuzyakov, Yu.Ya., Rotational analysis of the ²Σ-²Π band system of the spectrum of the SiBr molecule, Moscow Univ. Chem. Bull. Engl. Transl., 1969, 24, 74, In original 103. [all data]

Mishra and Khanna, 1972
Mishra, R.K.; Khanna, B.N., Emission spectrum of the SiBr molecule, Indian J. Phys., 1972, 46, 1. [all data]

Notes

Go To: Top, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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