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XVII.A.

Species which change point group upon ionization.

Species Name Point Group
Neutral Ion
LiOH lithium hydroxide C∞v Cs
HCO- formyl anion C∞v Cs
HCO Formyl radical C∞v Cs
HCO+ Formyl cation C∞v Cs
C3H6S3 Carbonotrithioic acid, dimethyl ester C1 Cs
CH3S thiomethoxy C1 C3v
CH2OH Hydroxymethyl radical C1 Cs
CH2OH+ hydroxymethyl cation C1 Cs
C4H6O Furan, 2,3-dihydro- C1 Cs
H2O2+ Hydrogen peroxide cation C1 C2h
H2O2 Hydrogen peroxide C1 C2h
NF3- Nitrogen trifluoride anion C1 C3v
NF3 Nitrogen trifluoride C1 C3v
NF3+ Nitrogen trifluoride cation C1 C3v
C6H8 3-Methylenecyclopentene C1 Cs
C4H5NS 4-Methylthiazole C1 Cs
C3H4S3 1,3-Dithiolane-2-thione C1 C2
C3H7 n-Propyl radical C1 C2
CH3O- methoxy anion C1 C3v
CH3O Methoxy radical C1 C3v
CH6N4S Carbonothioic dihydrazide C1 Cs
CH2ClCH2CH3 Propane, 1-chloro- C1 Cs
NH2CONHC2H5 Urea, ethyl- C1 Cs
CH2CHCONH2 Acrylamide C1 Cs
C4H6O2 2-Propenoic acid, methyl ester C1 Cs
CH3NHCH2COOH Sarcosine C1 Cs
C5H8O Cyclopentanone C1 C2
C2H4N4 2H-Tetrazole, 2-methyl- C1 Cs
P2H4 H2PPH2 C2 C2h
H2S2 HSSH C2 C2v
C4H8O Furan, tetrahydro- C2 C1
C6H12 Cyclohexane C2 C1
C3H8O2 Methane, dimethoxy- C2 C1
CH3CH2CH2CH3 Butane C2 C1
NH2CONH2 Urea C2 C2v
NH2CONH2+ Urea cation C2 C2v
CH2CHSCHCH2 Divinyl sulfide C2 C2v
C6H8 1,3-Cyclohexadiene C2 C1
N2H4 Hydrazine C2 C2h
C4H6O2 2,3-Butanedione C2 C2h
CH3SSCH3 Disulfide, dimethyl C2 C2v
C3H6O2 1,3-Dioxolane C2 C1
H2O2+ Hydrogen peroxide cation C2 C2h
H2O2 Hydrogen peroxide C2 C2h
C6H10 1,5-Hexadiene C2h C1
CH2SHCH2SH 1,2-Ethanedithiol C2h C1
C2H6O2 1,2-Ethanediol C2h C1
CH3CH2CH2CH3 Butane C2h C1
C6H14 Butane, 2,3-dimethyl- C2h C1
C4H10O2 1,4-Butanediol C2h C1
C4H10O2 Ethane, 1,2-dimethoxy- C2h C1
C4H8O2 1,4-Dioxane C2h C1
N2F2 Dinitrogen difluoride, (E)- C2h Cs
BH2 boron dihydride C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlFCl2 Aluminum dichloride fluoride C2v C1
BO2- Boron dioxide anion C2v C∞v
BO2 Boron dioxide C2v C∞v
BO2+ Boron dioxide cation C2v C∞v
CO2- Carbon dioxide anion C2v D∞h
CO2 Carbon dioxide C2v D∞h
CO2+ Carbon dioxide cation C2v D∞h
CH3OCH3 Dimethyl ether C2v C1
CH2C(CH3)CH3 1-Propene, 2-methyl- C2v C1
C3H2N2 Malononitrile C2v C1
C3H8S2 1,3-Propanedithiol C2v C1
C5H10O 3-Pentanone C2v C1
C3H8O2 Methane, dimethoxy- C2v C1
CH2CHOCHCH2 Vinyl ether C2v C1
C5H12 Pentane C2v C1
C4H10O Ethoxy ethane C2v C1
NH2CSNH2 Thiourea C2v C2
CH3COCH3 Acetone C2v C1
CH4 Methane C2v C3v
CH4+ Methane cation C2v C3v
CH2Cl2 Methylene chloride C2v C1
CH2F2 Methane, difluoro- C2v C1
CF2Cl2 difluorodichloromethane C2v C1
CH3CCl2CH3 Propane, 2,2-dichloro- C2v C1
C5H8 1,2-Butadiene, 3-methyl- C2v C1
C4H6O Cyclobutanone C2v Cs
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C4H6S Thiophene, 2,5-dihydro- C2v C1
C2H5 Ethyl radical C2v Cs
C2H5+ Ethyl cation C2v Cs
ClF3 Chlorine trifluoride C2v Cs
C3H4O Cyclopropanone C2v C1
CH3- methyl anion C3v D3h
CH3 Methyl radical C3v D3h
CH3+ methyl cation C3v D3h
SO3- Sulfur trioxide anion C3v C2v
SO3 Sulfur trioxide C3v C2v
CCl3- Trichloromethyl anion C3v D3h
CCl3- Trichloromethyl anion C3v D3h
CCl3 Trichloromethyl radical C3v D3h
CCl3 Trichloromethyl radical C3v D3h
CCl3+ Trichloromethyl cation C3v D3h
CCl3+ Trichloromethyl cation C3v D3h
SO3+ Sulfur trioxide cation C3v C2v
BF3- Borane, trifluoro- anion C3v D3h
BF3 Borane, trifluoro- C3v D3h
BF3+ boron trifluoride cation C3v D3h
NH3 Ammonia C3v D3h
NH3+ ammonia cation C3v D3h
C(CH3)3 Tert-butyl radical C3v Cs
CF3- Trifluoromethyl anion C3v D3h
CF3- Trifluoromethyl anion C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
C6H10 1-Butyne, 3,3-dimethyl- C3v C1
CH3F Methyl fluoride C3v Cs
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- C3v C1
N(CH3)3 Trimethylamine C3v C1
CH3Cl Methyl chloride C3v Cs
CH3CCH propyne C3v C1
SiH3F monofluorosilane C3v C1
SiH3- silyl anion C3v D3h
SiH3- silyl anion C3v D3h
SiH3 silyl C3v D3h
SiH3 silyl C3v D3h
SiH3+ silyl cation C3v D3h
SiH3+ silyl cation C3v D3h
BH3- boron trihydride anion C3v C2v
BH3 boron trihydride C3v C2v
BH3+ boron trihydride cation C3v C2v
SiH3Cl chlorosilane C3v C1
F3PO Phosphoryl fluoride C3v C1
C4H6O2 2,3-Butanedione Ci C2h
C3H4N2 1H-Pyrazole Cs C1
C4H8O2 1,3-Dioxane Cs C1
C5H10 2-Butene, 2-methyl- Cs C1
CH2CCHCH3 1,2-Butadiene Cs C1
CH2ClCHCHCH3 2-Butene, 1-chloro- Cs C1
C6H12 1-Hexene Cs C1
CH3OC2H5 Ethane, methoxy- Cs C1
C5H11Cl Pentane, 1-chloro- Cs C1
C3H7ONO Propyl nitrite Cs C1
C5H6S Thiophene, 2-methyl- Cs C1
CH3ONO Methyl nitrite Cs C1
C5H12O Butane, 1-methoxy- Cs C1
C5H12O Propane, 1-ethoxy- Cs C1
C4H9ClO 1-Chloro-2-ethoxyethane Cs C1
C6H10 2-Hexyne Cs C1
C3H7N Cyclopropylamine Cs C1
C4H12N2 2-Methyl-1,2-propanediamine Cs C1
C5H8 1,3-Pentadiene, (Z)- Cs C1
C5H11N Cyclopentanamine Cs C1
C4H6OS Vinyl sulfoxide Cs C1
C5H8 Cyclobutane, methylene- Cs C1
C4H7NO Oxazole, 4,5-dihydro-2-methyl- Cs C1
CH3CH2O Ethoxy radical Cs C1
C5H10S 2H-Thiopyran, tetrahydro- Cs C1
C5H12O Propane, 2-methoxy-2-methyl- Cs C1
C3H7 Isopropyl radical Cs C2
CH3CN- acetonitrile anion Cs C3v
CH3CN Acetonitrile Cs C3v
CH3CN+ Acetonitrile cation Cs C3v
HCN- Hydrogen cyanide anion Cs C∞v
HCN Hydrogen cyanide Cs C∞v
HCN+ hydrogen cyanide cation Cs C∞v
CH3NO2 Methane, nitro- Cs C1
C6H14 Butane, 2,2-dimethyl- Cs C1
CH3COCH2CH3 2-Butanone Cs C1
CH3OH- Methyl alcohol anion Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH+ Methyl alcohol cation Cs C1
H2CO- formaldehyde anion Cs C2v
H2CO Formaldehyde Cs C2v
H2CO+ formaldehyde cation Cs C2v
CH2ClCH2CH2CH3 Butane, 1-chloro- Cs C1
C(NH2)H2CH2CH2CH3 1-Butanamine Cs C1
CH3CH2CH2CN Butanenitrile Cs C1
HCOOC2H5 Ethyl formate Cs C1
CH3CHNOH Acetaldoxime Cs C1
CHCCH2CH3 1-Butyne Cs C1
CH3NHCH3 Dimethylamine Cs C1
C3H6N2 3-Aminopropionitrile Cs C1
C5H12O 1-Butanol, 3-methyl- Cs C1
C4H9N Pyrrolidine Cs C1
C5H8 Bicyclo[2.1.0]pentane Cs C1
H2O- water anion Cs C2v
H2O Water Cs C2v
H2O+ water cation Cs C2v
NH2OH hydroxylamine Cs C1
AlH3 aluminum trihydride Cs C2v
AlH3- aluminum trihydride anion Cs C2v
N2O- Nitrous oxide anion Cs C∞v
N2O Nitrous oxide Cs C∞v
N2O+ Nitrous oxide cation Cs C∞v
OClO- Chlorine dioxide anion Cs C2v
OClO Chlorine dioxide Cs C2v
OClO+ Chlorine dioxide cation Cs C2v
AlH3+ aluminum trihydride cation Cs C2v
MgOH magnesium hydroxide Cs C∞v
C4H11NO Diethylhydroxylamine Cs C1
C2H4N4 1H-Tetrazole, 5-methyl- Cs C1
C5H7N Cyclobutanecarbonitrile Cs C1
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- Cs C1
C2H3 vinyl Cs C2v
C2H3+ vinyl cation Cs C2v
C4H8O Cyclobutanol Cs C1
C3H3- Propargyl anion Cs C2v
C3H3 Propargyl radical Cs C2v
C3H3+ Propargyl cation Cs C2v
CH3CO- Acetyl anion Cs C3v
CH3CO Acetyl radical Cs C3v
CH3CO+ acetyl cation Cs C3v
C4H9N Cyclobutylamine Cs C1
C5H12S Propane, 2-(ethylthio)- Cs C1
C5H6 Bicyclo[2.1.0]pent-2-ene Cs C1
C5H10S 3-Ethylthio-1-propene Cs C1
C5H12S Propane, 2-methyl-2-(methylthio)- Cs C1
C5H6 Cyclopropylacetylene Cs C1
HDO Water-d1 Cs C2v
HD Deuterium hydride D∞h C∞v
BO2+ Boron dioxide cation D∞h C∞v
BO2+ Boron dioxide cation D∞h C∞v
BO2 Boron dioxide D∞h C∞v
BO2 Boron dioxide D∞h C∞v
BO2- Boron dioxide anion D∞h C∞v
BO2- Boron dioxide anion D∞h C∞v
BeH2 beryllium dihydride D∞h C∞v
NO2- Nitrogen dioxide anion D∞h C2v
NO2 Nitrogen dioxide D∞h C2v
NO2+ Nitrogen dioxide cation D∞h C2v
MgH2 magnesium dihydride D∞h C∞v
C3O2 Carbon suboxide D∞h C2v
C3O2 Carbon suboxide D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C2N2 Cyanogen D∞h C∞v
C2N2 Cyanogen D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C6H12 2-Butene, 2,3-dimethyl- D2 C1
C2H4- Ethylene anion D2 D2h
C2H4 Ethylene D2 D2h
C2H4+ Ethylene cation D2 D2h
C4H8 cyclobutane D2d C2
C5H8 Spiropentane D2d Cs
CH2CCH2 allene D2d D2
C4H4N2 Pyrazine D2h Cs
C6H8 1,4-Cyclohexadiene D2h C1
N2O4 Dinitrogen tetroxide D2h Cs
C6H8 Bicyclo[2.2.0]hex-1(4)-ene D2h C1
C6H12 Cyclohexane D3d C1
C3H6 Cyclopropane D3h C2v
C3H3N3 1,3,5-Triazine D3h C2v
CH3CCCH3 2-Butyne D3h C1
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlF3 Aluminum trifluoride D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
PF5 Phosphorus pentafluoride D3h Cs
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
AlCl3 Aluminum trichloride D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
PCl5 Phosphorus pentachloride D3h C1
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
C6H6 Benzene D6h C2h
Al- Aluminum atom anion Oh Kh
Al- Aluminum atom anion Oh Kh
Al- Aluminum atom anion Oh Kh
Al Aluminum atom Oh Kh
Al Aluminum atom Oh Kh
Al Aluminum atom Oh Kh
Al+ Aluminum atom cation Oh Kh
Al+ Aluminum atom cation Oh Kh
Al+ Aluminum atom cation Oh Kh
Li- Lithium atom anion Oh Kh
Li- Lithium atom anion Oh Kh
Li Lithium atom Oh Kh
Li Lithium atom Oh Kh
Li+ Lithium atom cation Oh Kh
Li+ Lithium atom cation Oh Kh
Mg- Magnesium atom anion Oh Kh
Mg- Magnesium atom anion Oh Kh
Mg Magnesium atom Oh Kh
Mg Magnesium atom Oh Kh
Mg+ Magnesium atom cation Oh Kh
Mg+ Magnesium atom cation Oh Kh
Si- Silicon atom anion Oh Kh
Si- Silicon atom anion Oh Kh
Si Silicon atom Oh Kh
Si Silicon atom Oh Kh
Si+ Silicon atom cation Oh Kh
Si+ Silicon atom cation Oh Kh
Na- Sodium atom anion Oh Kh
Na- Sodium atom anion Oh Kh
Na Sodium atom Oh Kh
Na Sodium atom Oh Kh
Na+ Sodium atom cation Oh Kh
Na+ Sodium atom cation Oh Kh
Be- Beryllium atom anion Oh Kh
Be- Beryllium atom anion Oh Kh
Be Beryllium atom Oh Kh
Be Beryllium atom Oh Kh
Be+ Beryllium atom cation Oh Kh
Be+ Beryllium atom cation Oh Kh
B- Boron atom anion Oh Kh
B- Boron atom anion Oh Kh
B Boron atom Oh Kh
B Boron atom Oh Kh
B+ Boron atom cation Oh Kh
B+ Boron atom cation Oh Kh
C- Carbon atom anion Oh Kh
C- Carbon atom anion Oh Kh
C Carbon atom Oh Kh
C Carbon atom Oh Kh
C+ Carbon atom cation Oh Kh
C+ Carbon atom cation Oh Kh
S- Sulfur atom anion Oh Kh
S- Sulfur atom anion Oh Kh
S Sulfur atom Oh Kh
S Sulfur atom Oh Kh
S+ Sulfur atom cation Oh Kh
S+ Sulfur atom cation Oh Kh
P- Phosphorus atom anion Oh Kh
P- Phosphorus atom anion Oh Kh
P Phosphorus atom Oh Kh
P Phosphorus atom Oh Kh
P+ Phosphorus atom cation Oh Kh
P+ Phosphorus atom cation Oh Kh
H- Hydrogen atom anion Oh Kh
H Hydrogen atom Oh Kh
H+ Hydrogen atom cation Oh Kh
F- Fluorine atom anion Oh Kh
F- Fluorine atom anion Oh Kh
F Fluorine atom Oh Kh
F Fluorine atom Oh Kh
F+ Fluorine atom cation Oh Kh
F+ Fluorine atom cation Oh Kh
O- Oxygen atom anion Oh Kh
O- Oxygen atom anion Oh Kh
O Oxygen atom Oh Kh
O Oxygen atom Oh Kh
O+ Oxygen atom cation Oh Kh
O+ Oxygen atom cation Oh Kh
N- Nitrogen atom anion Oh Kh
N- Nitrogen atom anion Oh Kh
N Nitrogen atom Oh Kh
N Nitrogen atom Oh Kh
N+ Nitrogen atom cation Oh Kh
N+ Nitrogen atom cation Oh Kh
Cl- Chlorine atom anion Oh Kh
Cl- Chlorine atom anion Oh Kh
Cl Chlorine atom Oh Kh
Cl Chlorine atom Oh Kh
Cl+ Chlorine atom cation Oh Kh
Cl+ Chlorine atom cation Oh Kh
P4 Phosphorus tetramer Td D2d
SiCl4 Silane, tetrachloro- Td C3v
SiH4 Silane Td C3v
SiH4+ Silane cation Td C3v
SiF4 Silicon tetrafluoride Td C3v
CH4 Methane Td C3v
CH4 Methane Td C3v
CH4+ Methane cation Td C3v
CH4+ Methane cation Td C3v
CCl4 Carbon tetrachloride Td C3v
CF4 Carbon tetrafluoride Td C3v
C5H12 Propane, 2,2-dimethyl- Td C1
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