Binary Hydrides

Hydride Parent Compounds

LiH BeH₂ BH₃ CH₄ NH₃ H₂O H₂O₂ HF
NaH MgH₂ AlH₃ SiH₄ PH₃ H₂S HCl

Onium Ions:(Add H⁺)

LiH₂⁺ BeH₃⁺ BH₄⁺ NH₄⁺ NH₃H⁺ triplet H₃O⁺ H₄O⁺ H₃O₂⁺ H₂F⁺
NaH₂⁺ MgH₃⁺ AlH₄⁺ PH₄⁺ H₃S⁺ H₂Cl⁺

Molecular Cations: (Remove an e^-)(Free Radicals)

LiH⁺ BeH₂⁺ BH₃⁺ CH₄⁺ NH₃⁺ H₂O⁺ HF⁺
NaH⁺ MgH₂⁺ AlH₃⁺ SiH₄⁺ PH₃⁺ H₂S⁺ HCl⁺

Molecular Anions: (Add an e^-)(Free Radicals)

LiH^- BeH₂^- BH₃^- CH₄^- NH₃^- H₂O^- HF^-
NaH^- MgH₂^- AlH₃^- SiH₄^- PH₃^- H₂S^- HCl^-

Hydride ion, H^-, Abstraction:

Li⁺ BeH⁺ BH₂⁺ CH₃⁺ NH₂⁺ triplet NH₂⁺(bent) NH₂⁺(linear) HO⁺ F⁺
Na⁺ MgH⁺ AlH₂⁺ SiH₃⁺ PH₂⁺ HS⁺ Cl⁺

Hydrogen Atom Abstraction: (Free Radicals)

Li BeH BH₂ CH₃ NH₂ OH HOO F
Na MgH AlH₂ SiH₃ PH₂ HS Cl

Hydrogen Atom Addition: (Free Radicals)

H₃O H₂F

Proton, H⁺, Abstraction:

Li^- BeH^- BH₂^- CH₃^- NH₂^- OH^- HOO^- F^-
Na^- MgH^- AlH₂^- SiH₃^- PH₂^- HS^- Cl^-

Hydride, H^-, Addition:

BH₄^- AlH₄^-

Di-Onium Ions:(Add two H⁺s)

H₃F²⁺ H₃Cl²⁺

Molecular Dications: (Remove two e^-s)

H₂O²⁺ triplet H₂O²⁺ singlet

Molecular Dianions: (Add two e^-s)

BeH₂^2-

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Molecular Structure Introduction

This work was supported by an Academic Research Infrastructure Grant from the National Science Foundation, no. 9512457.

About the calculation methods

Binary Hydrides

Hydride Parent Compounds

Onium Ions:(Add H+)

Molecular Cations: (Remove an e-)(Free Radicals)

Molecular Anions: (Add an e-)(Free Radicals)

Hydride ion, H-, Abstraction: