## II.A.1. (XV.A.) |

INChI | SMILES | IUPAC name |
---|---|---|

InChI=1S/S.Zn | [Zn][S] |

State | Conformation |
---|---|

^{1}Σ^{+} |
C*V |

Enthalpy of formation (Hfg),
Entropy,
Integrated heat capacity (0 K to 298.15 K) (HH),
Heat Capacity (Cp)

Information can also be found for this species in the
NIST Chemistry Webbook

Property | Value | Uncertainty | units | Reference | Comment |
---|

Vibrational levels (cm^{-1})

Detailed diatomic data

vibrational zero-point energy: 229.5 cm^{-1}

Calculated vibrational frequencies for ZnS (Zinc sulfide).

Mode Number | Symmetry | Frequency (cm^{-1}) |
Frequency Reference | Intensity (km mol^{-1}) |
Int. unc. | Intensity Reference | Comment |
---|---|---|---|---|---|---|---|

1 | Σ | 459 | 2009Zac/Ziu:213 | omega sub e |

ω_{e} |
ω_{e}x_{e} |
ω_{e}y_{e} |
B_{e} |
α_{e} |
ZPE | reference |
---|---|---|---|---|---|---|

459 | 2.09 | 0.0038372 | 1.085484E-03 | 2009Zac/Ziu:213 |

vibrational zero-point energy: 229.5 cm

Calculated vibrational frequencies for ZnS (Zinc sulfide).

Rotational Constants (cm^{-1})

See section I.F.4 to change rotational constant units

Calculated rotational constants for ZnS (Zinc sulfide).

See section I.F.4 to change rotational constant units

A | B | C | reference | comment |
---|---|---|---|---|

0.18887 | 2009Zac/Ziu:213 | Be |

Calculated rotational constants for ZnS (Zinc sulfide).

Product of moments of inertia | ||||
---|---|---|---|---|

amu^{3}Å^{6} |
0 | gm^{3} cm^{6} |

Geometric Data

Calculated geometries for ZnS (Zinc sulfide).

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 | |||||

rSZn | 2.046 | 1 | 2 | 2009Zac/Ziu:213 |

Cartesians

Atom | x (Å) | y (Å) | z (Å) |
---|

Atom - Atom Distances

Distances in Å

Calculated geometries for ZnS (Zinc sulfide).

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type | Count |
---|---|

S-Zn | 1 |

Connectivity

Atom 1 | Atom 2 |
---|---|

Zn1 | S2 |

Electronic energy levels (cm^{-1})

Energy (cm^{-1}) |
Degeneracy | reference | description |
---|

Dipole, Quadrupole and Polarizability

Electric dipole moment

Calculated electric dipole moments for ZnS (Zinc sulfide).

Electric quadrupole moment

Calculated electric quadrupole moments for ZnS (Zinc sulfide).

Electric dipole moment

Calculated electric dipole moments for ZnS (Zinc sulfide).

Electric quadrupole moment

Calculated electric quadrupole moments for ZnS (Zinc sulfide).

References

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squib | reference | DOI |
---|---|---|

2009Zac/Ziu:213 | LN Zack, LM Ziurys "The pure rotational spectrum of ZnS (X 1SG+)" Journal of Molecular Spectroscopy 257 (2009) 213-216 | 10.1016/j.jms.2009.08.009 |

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