Hydroxyl Compounds, Donor-Acceptor Oxides, and Oxyacids
This page under construction, but many of the calculations are done!
Hydride Parent Compounds
LiH
BeH
2
BH
3
CH
4
NH
3
H
2
O
HF
NaH
MgH
2
AlH
3
SiH
4
PH
3
H
2
S
HCl
Mono-Hydroxyl: (Replace H with OH)
LiOH
BeHOH
BH
2
OH
CH
3
OH
NH
2
OH
H
2
O
2
HOF
NaOH
MgHOH
AlH
2
OH
SiH
3
OH
HOPH
2
HOSH
HOCl
Onium Ions: (Add H
+
)
HOBH
3
+
HONH
3
+
HOOH
2
+
HOFH
+
HOPH
3
+
HOSH
2
+
HOClH
+
Cations: (Dissociate to Give
-
OH)
Li
+
BeH
+
BH
2
+
CH
3
+
NH
2
+
HO
+
F
+
Na
+
MgH
+
AlH
2
+
SiH
3
+
PH
2
+
HS
+
Cl
+
Anions: (Dissociate to Give H
+
)
LiO
-
BeHO
-
BH
2
O
-
CH
3
O
-
NH
2
O
-
HO
2
-
OF
-
NaO
-
MgHO
-
AlH
2
O
-
SiH
3
O
-
PH
2
O
-
HSO
-
OCl
-
HOBe
-
HOBH
-
HOCH
-
HONH
-
HOMg
-
HOAlH
-
HOSiH
2
-
HOPH
-
HOS
-
Di-Hydroxyl: (Replace H with OH)
Be(OH)
2
BH(OH)
2
CH
2
(OH)
2
H
2
CO
2
(HO)
2
NH
Mg(OH)
2
AlH(OH)
2
SiH
2
(OH)
2
(HO)
2
PH
(HO)
2
S
Di-Hydroxyl Anions: (Dissociate to give H
+
)
HOCH
2
O
-
HCO
2
-
HONHO
-
HOSiH
2
O
-
HOPHO
-
HOSO
-
Donor-Acceptor Oxides
NH
3
->O
CH
3
NH
2
->O
H
2
O->O
CH
3
OH->O
HF->O
PH
3
->O
CH
3
PH
2
->O
H
2
S->O
CH
3
SH->O
HCl->O
Mono-Hydroxyl Oxides: (Donor-Acceptor Oxides)
HOBH
2
->O
HONH
2
->O
H
2
O
2
->O
HFO
2
H
3
PO
2
[i.e., HOPH
2
->O]
HOSH->O
HClO
2
Mono-Hydroxyl Oxide Anions: (Dissociate to Give H
+
)
ONH
2
->O
-
HO
2
->O
-
FO
2
-
H
2
PO
2
-
OSH->O
-
ClO
2
-
Di-Hydroxyl Oxides: (Donor-Acceptor Oxides)
(HO)
2
NH->O
H
3
PO
3
[i.e., (HO)
2
PH->O]
H
2
SO
3
[i.e., (HO)
2
S->O]
Di-Hydroxyl Oxide Anions: (Dissociate to give H
+
)
O(HO)NH->O
-
H
2
PO
3
-
HSO
3
-
SO
3
2-
Dioxides and Hydroxyl Dioxides: (Donor-Acceptor Oxides)
H
2
S->O
2
HCl->O
2
(HO)SHO
2
[i.e., HOSH->O
2
]
HClO
3
H
2
SO
4
[i.e., (HO)
2
S->O
2
]
Dioxides and Hydroxyl Dioxide Anions: (Dissociate to Give H
+
)
HS->O
2
-
ClO
2
-
OSHO
2
-
ClO
3
-
HSO
4
-
SO
4
2-
Trioxides and Hydroxyl Trioxides: (Donor-Acceptor Oxides)
HClO
4
, HOCl->O
3
Trioxides and Hydroxyl Trioxide Anions: (Dissociate to Give H
+
)
ClO
4
-
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
H
3
PO
4
[i.e., (HO)
3
P->O]
Tri-Hydroxyl and Tri-Hydroxyl Oxide Anions: (Dissociate to Give H
+
)
B(OH)
2
O
-
BO
3
3-
N(OH)
2
O
-
Al(OH)
2
O
-
PO
3
3-
H
2
PO
4
-
HPO
4
2-
PO
4
3-
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
