Hydroxyl Compounds, Donor-Acceptor Oxides, and Oxyacids

This page under construction, but many of the calculations are done!

Hydride Parent Compounds

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

Mono-Hydroxyl: (Replace H with OH)

LiOH    BeHOH    BH2OH    CH3OH    NH2OH    H2O2    HOF   
NaOH    MgHOH    AlH2OH    SiH3OH    HOPH2    HOSH    HOCl   

Onium Ions: (Add H+)

HOBH3+    HONH3+    HOOH2+    HOFH+   
HOPH3+     HOSH2+     HOClH+    

Cations: (Dissociate to Give -OH)

Li+    BeH+    BH2+    CH3+    NH2+    HO+    F+   
Na+    MgH+    AlH2+    SiH3+    PH2+    HS+    Cl+   

Anions: (Dissociate to Give H+)

LiO-    BeHO-    BH2O-    CH3O-    NH2O-    HO2-    OF-   
NaO-    MgHO-    AlH2O-    SiH3O-    PH2O-    HSO-    OCl-   
HOBe-    HOBH-    HOCH-    HONH-   
HOMg-    HOAlH-    HOSiH2-    HOPH-    HOS-   

Di-Hydroxyl: (Replace H with OH)

Be(OH)2    BH(OH)2    CH2(OH)2    H2CO2    (HO)2NH   
Mg(OH)2    AlH(OH)2    SiH2(OH)2    (HO)2PH    (HO)2S   

Di-Hydroxyl Anions: (Dissociate to give H+)

HOCH2O-    HCO2-    HONHO-    HOSiH2O-    HOPHO-    HOSO-   

Donor-Acceptor Oxides

NH3->O    CH3NH2->O     H2O->O    CH3OH->O    HF->O   
PH3->O    CH3PH2->O    H2S->O    CH3SH->O    HCl->O   

Mono-Hydroxyl Oxides: (Donor-Acceptor Oxides)

HOBH2->O    HONH2->O    H2O2->O    HFO2   
H3PO2 [i.e., HOPH2->O]    HOSH->O    HClO2   

Mono-Hydroxyl Oxide Anions: (Dissociate to Give H+)

ONH2->O-    HO2->O-    FO2-   
H2PO2-    OSH->O-    ClO2-   

Di-Hydroxyl Oxides: (Donor-Acceptor Oxides)

(HO)2NH->O    H3PO3 [i.e., (HO)2PH->O]    H2SO3 [i.e., (HO)2S->O]   

Di-Hydroxyl Oxide Anions: (Dissociate to give H+)

O(HO)NH->O-    H2PO3-    HSO3-    SO32-   

Dioxides and Hydroxyl Dioxides: (Donor-Acceptor Oxides)

H2S->O2    HCl->O2   
(HO)SHO2 [i.e., HOSH->O2]    HClO3    H2SO4 [i.e., (HO)2S->O2]   

Dioxides and Hydroxyl Dioxide Anions: (Dissociate to Give H+)

HS->O2-    ClO2-   
OSHO2-    ClO3-    HSO4-    SO42-   

Trioxides and Hydroxyl Trioxides: (Donor-Acceptor Oxides)

HClO4, HOCl->O3   

Trioxides and Hydroxyl Trioxide Anions: (Dissociate to Give H+)

ClO4-   

Tri-Hydroxyl and Tri-Hydroxyl Oxides: (Replace H with OH)(Donor-Acceptor Oxides)

B(OH)3    N(OH)3    Al(OH)3    P(OH)3    H3PO4 [i.e., (HO)3P->O]   

Tri-Hydroxyl and Tri-Hydroxyl Oxide Anions: (Dissociate to Give H+)

B(OH)2O-    BO33-    N(OH)2O-    Al(OH)2O-    PO33-    H2PO4-    HPO42-    PO43-   

Tetra-Hydroxyl Anions:

B(OH)4-    Al(OH)4-   

Back to the

Molecular Structure Introduction


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

About the calculation methods

Image Map