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Experimental data for HCS- (Thioformyl anion)

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INChI INChIKey SMILES IUPAC name
InChI=1S/CHS/c1-2/h1H/q+1 YOFNWWZZELAVRX-UHFFFAOYSA-N [CH+]=S
State Conformation
1Σ C*V
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

Calculated vibrational frequencies for HCS- (Thioformyl anion).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.71173   1995Tan/Sai:L93

Calculated rotational constants for HCS- (Thioformyl anion).
Product of moments of inertia moments of inertia
23.68541amu3Å6   1.08454844586594E-118gm3 cm6
Geometric Data
picture of Thioformyl anion

Point Group C∞v


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
rCH 1.079 0.000 1 2 1995Tan/Sai:L93
rCS 1.478 0.000 1 3 1995Tan/Sai:L93
aHCS 180 2 1 3 1995Tan/Sai:L93

Cartesians
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.0265
H2 0.0000 0.0000 2.1054
S3 0.0000 0.0000 -0.4517

Atom - Atom Distances bond lengths
Distances in Å
  C1 H2 S3
C1   1.07891.4782
H2 1.0789   2.5571
S3 1.47822.5571  

Calculated geometries for HCS- (Thioformyl anion).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
H2 C1 S3 180.000

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 1
C#S 1

Connectivity
Atom 1 Atom 2
C1 H2
C1 S3
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1Σ
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 1Σ C∞v True           C∞v 1 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 HCS- (Thioformyl anion).
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 1Σ C∞v True       C∞v 1 1

Calculated electric quadrupole moments for HCS- (Thioformyl anion).

References
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squib reference DOI
1995Tan/Sai:L93 J Tang, S Saito "MICROWAVE-SPECTRA OF THE ISOTOPOMERS OF HCS+ AND ITS SUBSTITUTION STRUCTURE" Astrophysical Journal 451(2) L93-L95, 1995 10.1086/309694

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