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Experimental data for N(SiH3)3 (trisilylamine)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/H9NSi3/c2-1(3)4/h2-4H3 [SiH3]N([SiH3])[SiH3]
State Conformation
1A' C3H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A' 2180   2001McK/Tor:1725-1738      
3 A' 1011          
4 A' 974          
6 A' 493          
9 A" 748          
14 E' 995          
15 E' 974          
16 E' 942          
17 E' 697          
18 E' 190          
21 E" 697          

Calculated vibrational frequencies for N(SiH3)3 (trisilylamine).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for N(SiH3)3 (trisilylamine).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of trisilylamine

Point Group C3h


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for N(SiH3)3 (trisilylamine).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-Si 3
H-Si 9

Connectivity
Atom 1 Atom 2
N1 Si2
N1 Si3
N1 Si4
Si2 H5
Si2 H8
Si2 H9
Si3 H6
Si3 H10
Si3 H11
Si4 H7
Si4 H12
Si4 H13
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
    9.700 0.100 webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A' C3h True           C3h 0 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for N(SiH3)3 (trisilylamine).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A' C3h True       C3h 0 1

Calculated electric quadrupole moments for N(SiH3)3 (trisilylamine).
References
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squib reference DOI
2001McK/Tor:1725-1738 DC McKean, I Torto "Infrared and quantum-chemical studies of the structure and vibrations of trisilylamine" Spectrochimica Acta Part A 57 (2001) 1725– 1738 10.1016/S1386-1425(01)00386-9
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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