CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	80.30	1.50	kJ mol^-1	1998Rap/Ape
Hfg(0K)		1.50	kJ mol^-1	1998Rap/Ape
Entropy (298.15K)	270.13	10.00	J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)	15.02	10.00	kJ mol^-1

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A_1g	2152		1957Bet/Wil:1107
2	A_1g	909		1957Bet/Wil:1107
3	A_1g	434		1957Bet/Wil:1107
4	A_1u	131		2003Lat/DiL:2895
5	A_2u	2154		1957Bet/Wil:1107
6	A_2u	844		1957Bet/Wil:1107
7	E_g	2155		1957Bet/Wil:1107				Eg and Eu modes switched
8	E_g	929		1957Bet/Wil:1107
9	E_g	625		1957Bet/Wil:1107
10	E_u	2179		1957Bet/Wil:1107				Eg and Eu modes switched
11	E_u	940		1957Bet/Wil:1107
12	E_u	379		1957Bet/Wil:1107

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiSi	2.320		1	2			1998Gup/Pra:1607
rSiH	1.470		1	3			1998Gup/Pra:1607
aHSiSi	109.4		1	2	6		1998Gup/Pra:1607
aHSiH	109.5		3	1	4		1998Gup/Pra:1607	by symmetry

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	1.1600
Si2	0.0000	0.0000	-1.1600
H3	0.0000	1.3865	1.6483
H4	-1.2008	-0.6933	1.6483
H5	1.2008	-0.6933	1.6483
H6	0.0000	-1.3865	-1.6483
H7	-1.2008	0.6933	-1.6483
H8	1.2008	0.6933	-1.6483

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3200	1.4700	1.4700	1.4700	3.1319	3.1319	3.1319
Si2	2.3200		3.1319	3.1319	3.1319	1.4700	1.4700	1.4700
H3	1.4700	3.1319		2.4016	2.4016	4.3078	3.5763	3.5763
H4	1.4700	3.1319	2.4016		2.4016	3.5763	3.5763	4.3078
H5	1.4700	3.1319	2.4016	2.4016		3.5763	4.3078	3.5763
H6	3.1319	1.4700	4.3078	3.5763	3.5763		2.4016	2.4016
H7	3.1319	1.4700	3.5763	3.5763	4.3078	2.4016		2.4016
H8	3.1319	1.4700	3.5763	4.3078	3.5763	2.4016	2.4016

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	109.400	Si1	Si2	H7	109.400
Si1	Si2	H8	109.400	Si2	Si1	H3	109.400
Si2	Si1	H4	109.400	Si2	Si1	H5	109.400
H3	Si1	H4	109.542	H3	Si1	H5	109.542
H4	Si1	H5	109.542	H6	Si2	H7	109.542
H6	Si2	H8	109.542	H7	Si2	H8	109.542

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A_1g	D_3d	True							D_3d	0	1

squib	reference	DOI
1957Bet/Wil:1107	GW Bethke, MK Wilson "Vibrational Spectrum of Disilane" J. Chem. Phys. 26(5), 1107, 1957	10.1063/1.1743480
1998Gup/Pra:1607	Gupte, Prasad, Ground State Geometries and Vibrational Spectra of Small Hyrdogenated Silicon Clusters Using Nonorthogonal Tight-binding Molecular Dynamics, Inter. J. of Mod. Phys. B, Vol. 12, #15, pgs. 1607-1622	10.1142/S0217979298000880
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
1998Rap/Ape	Z Rappoprt, Y Apeloig, "The chemistry of organic silicon compounds Volume 2 Part 1" Chapter 4, Wiley	10.1021/ja985767u
2003Lat/DiL:2895	F Lattanzi, C Di Lauro, V-M Horneman "The nu6, nu8, 3nu4+nu12 infrared system of Si2H6 under high resolution: rotational and torsional analysis" Mol. Phys. 101(18), 2895, 2003	10.1080/00268970310001598722
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
Si-Si	1
H-Si	6

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Experimental data for Si2H6 (disilane)

Experimental data for Si₂H₆ (disilane)