Silicon timer

Formula: Si₃
Molecular weight: 84.2565
IUPAC Standard InChI: InChI=1S/Si3/c1-2-3-1
IUPAC Standard InChIKey: VJNZTIUQOVUHQB-UHFFFAOYSA-N
CAS Registry Number: 12597-37-4
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Silicon
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Other data available:
- Gas phase thermochemistry data
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Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV)	Method	Reference	Comment
2.400 ± 0.030	N/A	Peppernick, Gunaratne, et al., 2010	Stated electron affinity is the Vertical Detachment Energy; B
2.30177 ± 0.00087	ZEKE	Arnold and Neumark, 1994	B
2.33	LPES	Kitsopoulos, Chick, et al., 1990	B
2.00 ± 0.20	LPES	Cheshnovsky, Yang, et al., 1987	EA given is Vertical Detachment Energy. Adiabatic EA est as up to 1 eV smaller; B
<2.60011	IMRB	Mandich, Bondybey, et al., 1987	The values from this reference are ca. 0.4-0.8 eV more bound than from other references; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.0 ± 0.3	EI	Drowart, DeMaria, et al., 1958	RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

State: G

Energy (cm^-1)		Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 25753 ± 13	T	Ne	G-X	330	390	Fulara, Freivogel, et al., 1996

Vib. sym.	cm^-1		Med.	Method	References


a₁	350	T	Ne	AB	Fulara, Freivogel, et al., 1996

State: F

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 19146 ± 7	Ne	F-X	430	540	Fulara, Freivogel, et al., 1996

Vib. sym.	cm^-1		Med.	Method	References


a₁	360	T	Ne	AB	Fulara, Freivogel, et al., 1996

State: E

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 17250 ± 6	Ne	E-X	530	580	Weltner and McLeod, 1964
					Fulara, Freivogel, et al., 1996

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a₁	2	Bend	250	T	Ne	AB	Fulara, Freivogel, et al., 1996

State: C

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 14200 ± 160	gas				Kitsopoulos, Chick, et al., 1990
					Xu, Taylor, et al., 1998
T_o = 12839 ± 3	Ne	C-X	700	780	Fulara, Freivogel, et al., 1996

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a₁	1	Sym. stretch	480 ± 40		gas	PE	Kitsopoulos, Chick, et al., 1990
	1	Sym. stretch	470	T	Ne	AB	Fulara, Freivogel, et al., 1996

State: B

Energy (cm^-1)	Med.	References


T_o = 11549 ± 160	gas	Xu, Taylor, et al., 1998

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	Sym. stretch	480 ± 20	gas	PE	Xu, Taylor, et al., 1998
	2	Bend	260 ± 20	gas	PE	Xu, Taylor, et al., 1998

State: c

Energy (cm^-1)	Med.	References


T_o = 8880 ± 80	gas	Kitsopoulos, Chick, et al., 1990
		Xu, Taylor, et al., 1998

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	Sym. stretch	480 ± 20	gas	PE	Xu, Taylor, et al., 1998
	2	Bend	260 ± 20	gas	PE	Xu, Taylor, et al., 1998

State: b

Energy (cm^-1)	Med.	References


T_o = 7180 ± 80	gas	Kitsopoulos, Chick, et al., 1990
		Xu, Taylor, et al., 1998

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	Sym. stretch	500 ± 20	gas	PE	Xu, Taylor, et al., 1998

State: A

Energy (cm^-1)	Med.	References


T_o = 3630 ± 80	gas	Kitsopoulos, Chick, et al., 1990
		Winstead, He, et al., 1991
		Xu, Taylor, et al., 1998

No.	Approximate type of mode	cm^-1	Med.	Method	References


1	Sym. stretch	480 ± 25	gas	PE EM	Kitsopoulos, Chick, et al., 1990 Winstead, He, et al., 1991

State: a

Energy (cm^-1)		Med.	References


T_o = 350	U	gas	Arnold and Neumark, 1994

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁'	1	Sym. stretch	501 ± 10	gas	TPE	Arnold and Neumark, 1994
e'	2	Deformation	337 ± 10	gas	EM TPE	Kitsopoulos, Chick, et al., 1990 Winstead, He, et al., 1991 Arnold and Neumark, 1994

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a₁	1	Sym. stretch	550	T	Ne	IR	Li, Van Zee, et al., 1995
	1	Sym. stretch	550.6		Ar	IR	Li, Van Zee, et al., 1995
	1	Sym. stretch	546.7		Kr	IR	Li, Van Zee, et al., 1995
	2	Bend	178 ± 11		gas	MW	McCarthy and Thaddeus, 2003
b₂	3	Asym. stretch	525.5		Ne	IR	Li, Van Zee, et al., 1995
	3	Asym. stretch	525.1		Ar	IR	Li, Van Zee, et al., 1995
	3	Asym. stretch	523.1		Kr	IR	Li, Van Zee, et al., 1995

Additional references: Jacox, 1994, page 67; Jacox, 1998, page 170; Jacox, 2003, page 83; McCarthy and Thaddeus, 2003, 2

Notes

Upper bound

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Peppernick, Gunaratne, et al., 2010
Peppernick, S.J.; Gunaratne, K.D.D.; Sayres, S.G.; Castleman, A.W., Photoelectron imaging of small silicon cluster anions, Si-n- (n=2-7), J. Chem. Phys., 2010, 132, 4, 044302, https://doi.org/10.1063/1.3299271 . [all data]

Arnold and Neumark, 1994
Arnold, C.C.; Neumark, D.M., Threshold Photodetachment Zero-Electron Kinetic Energy Spectroscopy of Si-3(-), J. Chem. Phys., 1994, 100, 3, 1797, https://doi.org/10.1063/1.466532 . [all data]

Kitsopoulos, Chick, et al., 1990
Kitsopoulos, T.N.; Chick, C.J.; Weaver, A.; Neumark, D.M., Vibrationally Resolved Photoelectron Spectra of Si-3- and Si-4-, J. Chem. Phys., 1990, 93, 8, 6108, https://doi.org/10.1063/1.459004 . [all data]

Cheshnovsky, Yang, et al., 1987
Cheshnovsky, O.; Yang, S.H.; Pettiette, C.L.; Craycraft, M.J.; Liu, Y.; Smalley, R.E., Ultraviolet Photoelectron Spectroscopy of Semiconductor Clusters: Silicon and Germanium, Chem. Phys. Lett., 1987, 138, 2-3, 119, https://doi.org/10.1016/0009-2614(87)80353-6 . [all data]

Mandich, Bondybey, et al., 1987
Mandich, M.L.; Bondybey, V.E.; Reents, W.D., Reactive Etching of Positive and Negative Silicon Cluster Ions by Nitrogen Dioxide, J. Chem. Phys., 1987, 86, 7, 4245, https://doi.org/10.1063/1.451885 . [all data]

Drowart, DeMaria, et al., 1958
Drowart, J.; DeMaria, G.; Inghram, M.G., Thermodynamic study of SiC utilizing a mass spectrometer, J. Chem. Phys., 1958, 29, 1015. [all data]

Fulara, Freivogel, et al., 1996
Fulara, J.; Freivogel, P.; Grutter, M.; Maier, J.P., Electronic Absorption Spectra of Si, J. Phys. Chem., 1996, 100, 46, 18042, https://doi.org/10.1021/jp962575h . [all data]

Weltner and McLeod, 1964
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of Silicon Carbide and Silicon Vapors Trapped in Neon and Argon Matrices at 4° and 20°K, J. Chem. Phys., 1964, 41, 1, 235, https://doi.org/10.1063/1.1725627 . [all data]

Xu, Taylor, et al., 1998
Xu, C.; Taylor, T.R.; Burton, G.R.; Neumark, D.M., Vibrationally resolved photoelectron spectroscopy of silicon cluster anions Si[sub n][sup -] (n=3--7), J. Chem. Phys., 1998, 108, 4, 1395, https://doi.org/10.1063/1.475511 . [all data]

Winstead, He, et al., 1991
Winstead, C.B.; He, K.X.; Grantier, D.; Hammond, T.; Gole, J.L., Electric-field-enhanced laser-induced plasma spectroscopy of jet-cooled silicon trimer, Chem. Phys. Lett., 1991, 181, 2-3, 222, https://doi.org/10.1016/0009-2614(91)90358-G . [all data]

Li, Van Zee, et al., 1995
Li, S.; Van Zee, R.J.; Weltner, W., Jr.; Raghavachari, K., Si3«58872»Si7. Experimental and theoretical infrared spectra, Chem. Phys. Lett., 1995, 243, 3-4, 275, https://doi.org/10.1016/0009-2614(95)00836-S . [all data]

McCarthy and Thaddeus, 2003
McCarthy, M.; Thaddeus, P., Rotational Spectrum and Structure of Si3, Phys. Rev. Lett., 2003, 90, 21, 213003, https://doi.org/10.1103/PhysRevLett.90.213003 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

McCarthy and Thaddeus, 2003, 2
McCarthy, M.; Thaddeus, P., The Radio Spectrum of Si, Astrophys. J. Lett., 2003, 592, 2, L91, https://doi.org/10.1086/375728 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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