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Experimental data for HSe (Selenium monohydride)

22 02 02 11 45
INChI INChIKey SMILES IUPAC name
InChI=1S/HSe/h1H VUGWMQXJZSOYNI-UHFFFAOYSA-N [SeH]
State Conformation
2Π 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
1 Σ   2400 1979HUB/HER      

vibrational zero-point energy:   cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for HSe (Selenium monohydride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  7.78000 7.78000 1979HUB/HER

Calculated rotational constants for HSe (Selenium monohydride).
Product of moments of inertia moments of inertia
2.16679amu Å2   3.5981E-40gm cm2
Geometric Data
picture of Selenium monohydride

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
rSeH 1.475 0.010 1 2 1979HUB/HER re

Cartesians
Atom x (Å) y (Å) z (Å)
Se1 0.0000 0.0000 0.0000
H2 0.0000 0.0000 1.4750

Atom - Atom Distances bond lengths
Distances in Å
  Se1 H2
Se1   1.4750
H2 1.4750  

Calculated geometries for HSe (Selenium monohydride).

Bond descriptions


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

Connectivity
Atom 1 Atom 2
Se1 H2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
1815 2 1979HUB/HER
31500 2 1979HUB/HER

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.845 0.003     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
2.210 0.030 2002Rie/Tsc:231
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 2Π C∞v True     0.490 0.490 1971Byf/Car:271   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 HSe (Selenium monohydride).
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 2Π C∞v True       C∞v 1 1

Calculated electric quadrupole moments for HSe (Selenium monohydride).

References
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squib reference DOI
1971Byf/Car:271 CR Byfleet, A Carrington, DK Russell, "Electric dipole moments of open-shell diatomic molceules" Molecular Physics 1971, 20(2), 271-277 10.1080/00268977100100251
1979HUB/HER Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979 10.1007/978-1-4757-0961-2
2002Rie/Tsc:231 JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282 10.1021/cr990044u
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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