XVII
.
C
.1. (
III
.
D
.6.)
Calculated Adiabatic Ionization Energies
Species
Name
H
Hydrogen atom
D
Deuterium atom
He
Helium atom
H
2
Hydrogen diatomic
HeH
Helium hydride
Li
Lithium atom
Be
Beryllium atom
B
Boron atom
C
Carbon atom
N
Nitrogen atom
O
Oxygen atom
F
Fluorine atom
Ne
Neon atom
Na
Sodium atom
Mg
Magnesium atom
Al
Aluminum atom
Si
Silicon atom
P
Phosphorus atom
S
Sulfur atom
Cl
Chlorine atom
Ar
Argon atom
K
Potassium atom
Ca
Calcium atom
Ti
Titanium atom
Cu
Copper atom
Zn
Zinc atom
As
Arsenic atomic
Se
Selenium atom
Br
Bromine atom
I
Iodine atom
LiH
Lithium Hydride
BeH
beryllium monohydride
BH
Boron monohydride
CH
Methylidyne
NH
Imidogen
OH
Hydroxyl radical
HF
Hydrogen fluoride
NeH
neon hydrogen
NaH
sodium hydride
MgH
magnesium monohydride
AlH
aluminum monohydride
SiH
Silylidyne
PH
phosphorus monohydride
SH
Mercapto radical
HCl
Hydrogen chloride
HSe
Selenium monohydride
HBr
hydrogen bromide
CH
2
Methylene
NH
2
Amino radical
H
2
O
Water
AlH
2
aluminum dihydride
SiH
2
silicon dihydride
PH
2
Phosphino radical
H
2
S
Hydrogen sulfide
H
2
Se
Hydrogen selenide
BH
3
boron trihydride
CH
3
Methyl radical
NH
3
Ammonia
AlH
3
aluminum trihydride
SiH
3
silyl
PH
3
Phosphine
AsH
3
Arsine
CH
4
Methane
SiH
4
Silane
Li
2
Lithium diatomic
Be
2
Beryllium diatomic
B
2
Boron diatomic
BC
boron monocarbide
C
2
Carbon diatomic
BN
boron nitride
N
2
Nitrogen diatomic
CN
Cyano radical
LiN
Lithium Nitride
BeN
Beryllium mononitride
CO
Carbon monoxide
BeO
beryllium oxide
O
2
Oxygen diatomic
NO
Nitric oxide
LiO
lithium oxide
BO
boron monoxide
FO
Oxygen monofluoride
F
2
Fluorine diatomic
LiF
lithium fluoride
CF
Fluoromethylidyne
NF
nitrogen fluoride
BF
Boron monofluoride
BeF
Beryllium monofluoride
Na
2
Sodium diatomic
NaLi
lithium sodium
NaO
sodium monoxide
NaF
sodium fluoride
Mg
2
Magnesium diatomic
MgO
magnesium oxide
MgF
Magnesium monofluoride
Al
2
Aluminum diatomic
AlN
Aluminum nitride
AlO
Aluminum monoxide
AlF
Aluminum monofluoride
SiC
silicon monocarbide
Si
2
Silicon diatomic
SiN
Silicon nitride
SiO
Silicon monoxide
SiF
silicon monofluoride
CP
Carbon monophosphide
P
2
Phosphorus diatomic
SiP
Silicon monophosphide
PN
Phosphorus mononitride
PO
Phosphorus monoxide
PF
phosphorus monofluoride
S
2
Sulfur diatomic
BeS
beryllium sulfide
SO
Sulfur monoxide
BS
boron sulfide
AlS
Aluminum sulfide
PS
phosphorus sulfide
SiS
silicon monosulfide
MgS
magnesium sulfide
NS
Mononitrogen monosulfide
CS
carbon monosulfide
SF
Monosulfur monofluoride
PCl
phosphorus chloride
BCl
boron monochloride
BeCl
beryllium chloride
MgCl
magnesium monochloride
ClO
Monochlorine monoxide
SCl
sulfur monochloride
SiCl
Clorosilylidyne
CCl
carbon monochloride
AlCl
Aluminum monochloride
NCl
nitrogen monochloride
NaCl
Sodium Chloride
LiCl
lithium chloride
ClF
Chlorine monofluoride
Cl
2
Chlorine diatomic
ZnF
Zinc monofluoride
SeS
Selenium monosulfide
Se
2
Selenium diatomic
SeO
Selenium monoxide
CSe
Carbon monoselenide
BrCl
Bromine monochloride
BrF
Bromine monofluoride
LiBr
Lithium Bromide
NaBr
Sodium Bromide
Br
2
Bromine diatomic
C
2
H
Ethynyl radical
HCN
Hydrogen cyanide
NNH
Dinitrogen monohydride
HNO
Nitrosyl hydride
HO
2
Hydroperoxy radical
HCO
Formyl radical
HPO
HPO
HCS
Thioformyl radical
C
2
H
2
Acetylene
H
2
CO
Formaldehyde
H
2
O
2
Hydrogen peroxide
C
2
H
3
vinyl
CH
2
OH
Hydroxymethyl radical
C
2
H
4
Ethylene
CH
3
OH
Methyl alcohol
C
2
H
5
Ethyl radical
C
3
carbon trimer
Li
2
O
dilithium oxide
NO
2
Nitrogen dioxide
N
2
O
Nitrous oxide
O
3
Ozone
CO
2
Carbon dioxide
BO
2
Boron dioxide
CF
2
Difluoromethylene
NF
2
Difluoroamino radical
PO
2
Phosphorus dioxide
SO
2
Sulfur dioxide
OCS
Carbonyl sulfide
CS
2
Carbon disulfide
SF
2
sulfur difluoride
ClOO
chloroperoxy radical
CCl
2
dichloromethylene
OClO
Chlorine dioxide
HNO
2
Nitrous acid
HOCO
Hydrocarboxyl radical
HCCF
Fluoroacetylene
CH
2
CO
Ketene
C
3
H
3
Propargyl radical
CH
3
CN
Acetonitrile
CH
3
OO
methylperoxy radical
CH
3
CO
Acetyl radical
CH
2
CHF
Ethene, fluoro-
C
3
H
5
Allyl radical
C
4
Carbon tetramer
C
2
N
2
Cyanogen
NO
3
Nitrogen trioxide
NF
3
Nitrogen trifluoride
BF
3
Borane, trifluoro-
CF
3
Trifluoromethyl radical
SO
3
Sulfur trioxide
CCl
3
Trichloromethyl radical
C
2
Cl
2
dichloroacetylene
SiCl
3
trichlorosilyl radical
HCCCN
Cyanoacetylene
C
4
H
2
Diacetylene
C
2
H
2
O
2
Ethanedial
C
3
H
3
N
acrylonitrile
NH
2
CONH
2
Urea
C
3
O
2
Carbon suboxide
C
2
HF
3
Trifluoroethylene
C
7
H
7
cycloheptatrienyl radical