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

# Listing of experimental data for ND_{2} (Amidogen-d2)

Other names |
---|

Amidogen-D2; |

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

InChI=1S/H2N/h1H2/i1D2 | MDFFNEOEWAXZRQ-DICFDUPASA-N | [N]([2H])[2H] |

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

^{2}B_{1} |
C2V |

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 |
---|---|---|---|---|---|

Hfg(298.15K) | 185.35 | 8.40 | kJ mol^{-1} |
JANAF | |

Hfg(0K) | 188.28 | 8.40 | kJ mol^{-1} |
JANAF | |

Entropy (298.15K) | 204.29 | J K^{-1} mol^{-1} |
JANAF | ||

Integrated Heat Capacity (0 to 298.15K) | 9.98 | kJ mol^{-1} |
JANAF | ||

Heat Capacity (298.15K) | 34.42 | J K^{-1} mol^{-1} |
JANAF |

Vibrational levels (cm

Calculated vibrational frequencies for ND

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

2 | A' | 1109 | webbook |

Calculated vibrational frequencies for ND

_{2}(Amidogen-d2).
Rotational Constants (cm

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

Calculated rotational constants for ND

^{-1})See section I.F.4 to change rotational constant units

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

13.34236 | 6.48776 | 4.28997 | 1997Mor/Ken:428 |

Calculated rotational constants for ND

_{2}(Amidogen-d2).Product of moments of inertia | ||||
---|---|---|---|---|

12.90054 | amu^{3}Å^{6} |
5.90712043223762E-119 | gm^{3} cm^{6} |

Geometric Data

Calculated geometries for ND

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

Point Group C_{2v}

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) |
---|---|---|---|

N1 | 0.0000 | 0.0000 | 0.0000 |

H2 | 0.0000 | 0.8036 | 0.6347 |

H3 | 0.0000 | -0.8036 | 0.6347 |

Atom - Atom Distances

Distances in Å

N1 | H2 | H3 | |
---|---|---|---|

N1 | 1.0240 | 1.0240 | |

H2 | 1.0240 | 1.6072 | |

H3 | 1.0240 | 1.6072 |

Calculated geometries for ND

_{2}(Amidogen-d2).Experimental Bond Angles (degrees) from cartesians

atom1 | atom2 | atom3 | angle |
---|---|---|---|

H2 | N1 | H3 | 103.400 |

Bond descriptions

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

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

D-N | 2 |

Connectivity

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

N1 | H2 |

N1 | H3 |

Electronic energy levels (cm

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

0 | 2 | ^{2}B_{1} |

Ionization Energies (eV)

Ionization Energy | I.E. unc. | vertical I.E. | v.I.E. unc. | reference |
---|---|---|---|---|

11.450 | 0.010 | webbook |

Dipole, Quadrupole and Polarizability

Electric dipole moment

Calculated electric dipole moments for ND

Electric quadrupole moment

Calculated electric quadrupole moments for ND

Electric dipole moment

Calculated electric dipole moments for ND

_{2}(Amidogen-d2).Electric quadrupole moment

Calculated electric quadrupole moments for ND

_{2}(Amidogen-d2).
References

*By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites.*Please address comments about this page to cccbdb@nist.gov.squib | reference | DOI |
---|---|---|

1997Mor/Ken:428 | Morino, I.; Kawaguchi, K. "Fourier Transform Far-Infrared Spectroscopy of the NH2, NHD, and ND2 Radicals." Journal of Molecular Spectroscopy. 182, 428-438 (1997) | 10.1006/jmsp.1996.7221 |

JANAF | Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1. | |

webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |

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