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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > Electrostatics > Polarizability OR FAQ Help > List > Ions, Dipoles, etc. > Polarizability |
Molecule | name | State | Conformation | alpha | squib | commment |
---|---|---|---|---|---|---|
H | Hydrogen atom | 1S | Kh | 0.667 | 1977Mil/Bed:1 | |
He | Helium atom | 1S | Kh | 0.208 | 1997Oln/Can:59 | |
Li | Lithium atom | 2S | Kh | 24.330 | 1977Mil/Bed:1 | |
Be | Beryllium atom | 1S | Kh | 5.600 | 1977Mil/Bed:1 | |
B | Boron atom | 2P | Kh | 3.030 | 1977Mil/Bed:1 | |
C | Carbon atom | 3P0 | Kh | 1.760 | 1977Mil/Bed:1 | |
N | Nitrogen atom | 4S | Kh | 1.100 | 1977Mil/Bed:1 | |
O | Oxygen atom | 3S | Kh | 0.802 | 1977Mil/Bed:1 | |
F | Fluorine atom | 2P | Kh | 0.557 | 1977Mil/Bed:1 | |
Ne | Neon atom | 1S | Kh | 0.381 | 1997Oln/Can:59 | |
Na | Sodium atom | 2S | Kh | 24.110 | 1997Oln/Can:59 | |
Mg | Magnesium atom | 1S | Kh | 10.600 | 1977Mil/Bed:1 | |
Al | Aluminum atom | 2P | Kh | 8.340 | 1977Mil/Bed:1 | |
Si | Silicon atom | 3P | Kh | 5.380 | 1977Mil/Bed:1 | |
P | Phosphorus atom | 4S | Kh | 3.630 | 1977Mil/Bed:1 | |
S | Sulfur atom | 3P | Kh | 2.900 | 1977Mil/Bed:1 | |
Cl | Chlorine atom | 2P | Kh | 2.180 | 1977Mil/Bed:1 | |
Ar | Argon atom | 1S | Kh | 1.664 | 1997Oln/Can:59 | |
K | Potassium atom | 2S | Kh | 43.400 | 1977Mil/Bed:1 | |
Ca | Calcium atom | 1S | Kh | 22.800 | 1977Mil/Bed:1 | |
Zn | Zinc atom | 1S | Kh | 5.750 | 1997Oln/Can:59 | |
Br | Bromine atom | 2P | Kh | 3.050 | 1977Mil/Bed:1 | |
Kr | Krypton atom | 1S | Kh | 2.498 | 1997Oln/Can:59 | |
Xe | Xenon atom | 1S | Kh | 4.005 | 1997Oln/Can:59 | |
D2 | Deuterium diatomic | 1Σg | D∞h | 0.783 | 1997Oln/Can:59 | |
HD | Deuterium hydride | 1Σg | D∞h | 0.791 | 1997Oln/Can:59 | |
H2 | Hydrogen diatomic | 1Σg | D∞h | 0.787 | 1997Oln/Can:59 | |
H2+ | Hydrogen cation | 2Σg+ | D∞h | 0.469 | 2000Jac/Kom:012509 | |
N2 | Nitrogen diatomic | 1Σg | D∞h | 1.710 | 1997Oln/Can:59 | |
CO | Carbon monoxide | 1Σ | C∞v | 1.953 | 1997Oln/Can:59 | |
NO | Nitric oxide | 2Π | C∞v | 1.698 | 1997Oln/Can:59 | |
O2 | Oxygen diatomic | 3Σg | D∞h | 1.562 | 1997Oln/Can:59 | |
HF | Hydrogen fluoride | 1Σ | C∞v | 0.800 | 1998Gus/Rui:163 | |
F2 | Fluorine diatomic | 1Σg | D∞h | 1.160 | 1998Gus/Rui:163 | |
NaLi | lithium sodium | 1Σ | C∞v | 39.999 | 1972Gra/Dag:710 | alpha_s=40+-5, alpha_a=24+-2 A^3 |
MgO | magnesium oxide | 1Σ+ | C∞v | 1.750 | 1998Gus/Rui:163 | |
HCl | Hydrogen chloride | 1Σ | C∞v | 2.515 | 1997Oln/Can:59 | |
Cl2 | Chlorine diatomic | 1Σg | D∞h | 4.610 | 1997Oln/Can:59 | |
CaO | Calcium monoxide | 1Σ | C∞v | 2.841 | 1998Gus/Rui:163 | |
HBr | hydrogen bromide | 1Σ | C∞v | 3.616 | 1997Oln/Can:59 | |
Br2 | Bromine diatomic | 1Σg | D∞h | 6.431 | 1997Oln/Can:59 | |
HI | Hydrogen iodide | 1Σ | C∞v | 5.453 | 1997Oln/Can:59 | |
BeH2 | beryllium dihydride | 1Σg | D∞h | 4.340 | HCP_Polar | |
HCN | Hydrogen cyanide | 1Σ | C∞v | 2.593 | 1951LB1.3:509 | |
H2O | Water | 1A1 | C2v | 1.501 | 1997Oln/Can:59 | |
N2O | Nitrous oxide | 1Σ | C∞v | 2.998 | 1997Oln/Can:59 | |
CO2 | Carbon dioxide | 1Σg | D∞h | 2.507 | 1997Oln/Can:59 | |
NO2 | Nitrogen dioxide | 2A1 | C2v | 2.910 | 1997Oln/Can:59 | |
O3 | Ozone | 1A1 | Cs | 3.079 | 1998Gus/Rui:163 | |
FCN | Cyanogen fluoride | 1Σ | C∞v | 2.550 | 1998Gus/Rui:163 | |
H2S | Hydrogen sulfide | 1A1 | C2v | 3.631 | 1997Oln/Can:59 | |
OCS | Carbonyl sulfide | 1Σ | C∞v | 5.090 | 1998Gus/Rui:163 | |
SO2 | Sulfur dioxide | 1A1 | C2v | 3.882 | 1951LB1.3:509 | |
CS2 | Carbon disulfide | 1Σg | D∞h | 8.749 | 1951LB1.3:509 | |
H2Se | Hydrogen selenide | 1A1 | C2v | 4.770 | 1998Gus/Rui:163 | |
CSe2 | Carbon diselenide | 1A1 | D∞h | 11.269 | 1998Gus/Rui:163 | |
BrCN | Cyanogen bromide | 1Σ | C∞v | 5.824 | 1997Oln/Can:59 | |
C2H2 | Acetylene | 1Σg | D∞h | 3.487 | 1997Oln/Can:59 | |
NH3 | Ammonia | 1A1 | C3v | 2.103 | 1997Oln/Can:59 | |
C2N2 | Cyanogen | 1Σg | D∞h | 5.015 | 1951LB1.3:509 | |
H2CO | Formaldehyde | 1A1 | C2v | 2.770 | 1997Oln/Can:59 | |
BF3 | Borane, trifluoro- | 1A' | D3h | 2.420 | 1998Gus/Rui:163 | |
NF3 | Nitrogen trifluoride | 1A1 | C3v | 2.810 | 1998Gus/Rui:163 | |
PH3 | Phosphine | 1A1 | C3v | 4.237 | 1997Oln/Can:59 | |
PF3 | Phosphorus trifluoride | 1A1 | C3v | 4.414 | 1997Oln/Can:59 | |
P4 | Phosphorus tetramer | 1A1 | Td | 13.589 | 2015Tha/Wu:144302 | |
SO3 | Sulfur trioxide | 1A1' | D3h | 4.297 | 2015Tha/Wu:144302 | |
F2SO | Thionyl Fluoride | 1A' | Cs | 3.927 | 2015Tha/Wu:144302 | |
HCCCl | Chloroacetylene | 1Σ | C∞v | 6.070 | HCP_Polar | |
ClF3 | Chlorine trifluoride | 1A1' | D3h | 7.483 | 2015Tha/Wu:144302 | |
CCl2O | Phosgene | 1A1 | C2v | 6.790 | 1998Gus/Rui:163 | |
BCl3 | Borane, trichloro- | 1A1' | D3h | 8.700 | 1998Gus/Rui:163 | |
Cl2CS | Thiophosgene | 1A1 | C2v | 9.573 | 2015Tha/Wu:144302 | |
PCl3 | Phosphorus trichloride | 1A1 | C3v | 10.634 | 1997Oln/Can:59 | |
AsH3 | Arsine | 1A1 | C3v | 5.468 | 2015Tha/Wu:144302 | authors question uncertainty |
AsCl3 | Arsenous trichloride | 1A1 | C3v | 11.370 | 1998Gus/Rui:163 | |
As4 | Arsenic tetramer | 1A1 | Td | 17.293 | 2015Tha/Wu:144302 | |
BBr3 | Boron tribromide | 1A1' | D3h | 11.351 | 2015Tha/Wu:144302 | |
PBr3 | Phosphorus tribromide | 1A1 | C3v | 14.380 | 1998Gus/Rui:163 | |
CH4 | Methane | 1A1 | Td | 2.448 | 1997Oln/Can:59 | |
CH2CO | Ketene | 1A1 | C2v | 4.400 | 1998Gus/Rui:163 | |
HCOOH | Formic acid | 1A' | Cs | 3.319 | 1984Gra/Gub | |
CH3F | Methyl fluoride | 1A1 | C3v | 2.540 | 1997Oln/Can:59 | |
CH2F2 | Methane, difluoro- | 1A1 | C2v | 2.761 | 1998Gus/Rui:163 | |
CHF3 | Methane, trifluoro- | 1A1 | C3v | 2.801 | 1998Gus/Rui:163 | |
CF4 | Carbon tetrafluoride | 1A1 | Td | 2.824 | 1997Oln/Can:59 | |
SiH4 | Silane | 1A1 | Td | 4.777 | 1997Oln/Can:59 | |
SiF4 | Silicon tetrafluoride | 1A1 | Td | 3.319 | 1998Gus/Rui:163 | |
CH3Cl | Methyl chloride | 1A1 | C3v | 4.416 | 1997Oln/Can:59 | |
SiH3Cl | chlorosilane | 1A1 | C1 | 9.113 | 2015Tha/Wu:144302 | authors question uncertainty |
CH2FCl | fluorochloromethane | 1A' | Cs | 4.509 | 1998Gus/Rui:163 | |
CH2Cl2 | Methylene chloride | 1A1 | C2v | 6.659 | 1998Gus/Rui:163 | |
CHF2Cl | difluorochloromethane | 1A' | Cs | 4.440 | 1998Gus/Rui:163 | |
CHFCl2 | fluorodichloromethane | 1A' | Cs | 6.611 | 1998Gus/Rui:163 | |
CF3Cl | Methane, chlorotrifluoro- | 1A1 | C3v | 4.650 | 1998Gus/Rui:163 | |
CHCl3 | Chloroform | 1A1 | C3v | 8.129 | 1998Gus/Rui:163 | |
CF2Cl2 | difluorodichloromethane | 1A1 | C2v | 6.370 | 1997Oln/Can:59 | |
CFCl3 | Trichloromonofluoromethane | 1A1 | C3v | 8.249 | 1998Gus/Rui:163 | |
CCl4 | Carbon tetrachloride | 1A1 | Td | 10.002 | 1997Oln/Can:59 | |
SiCl4 | Silane, tetrachloro- | 1A1 | Td | 11.269 | 1998Gus/Rui:163 | |
TiCl4 | Titanium tetrachloride | 1A1 | Td | 15.001 | 1998Gus/Rui:163 | |
GeH4 | Germane | 1A1 | Td | 4.770 | 2015Tha/Wu:144302 | Authors question uncertainty |
GeF4 | Germanium tetrafluoride | 1A1 | Td | 4.050 | 1998Gus/Rui:163 | |
GeCl4 | Germanium Tetrachloride | 1A1 | Td | 12.490 | 1998Gus/Rui:163 | |
CH3Br | methyl bromide | 1A1 | C3v | 5.610 | 1984Gra/Gub | |
CF3Br | Bromotrifluoromethane | 1A1 | C3v | 5.650 | 1998Gus/Rui:163 | |
CH2Br2 | dibromomethane | 1A1 | C2v | 8.680 | 1990Mil:8533 | |
CHBr3 | bromoform | 1A1 | C3v | 11.840 | 1998Gus/Rui:163 | |
CH3I | methyl iodide | 1A1 | C3v | 7.325 | 1997Oln/Can:59 | |
C2H4 | Ethylene | 1Ag | D2h | 4.188 | 1997Oln/Can:59 | |
C4H2 | Diacetylene | 1Σg | D∞h | 6.811 | 1998Gus/Rui:163 | |
N2H4 | Hydrazine | 1A | C2 | 3.460 | 1998Gus/Rui:163 | |
CH3CN | Acetonitrile | 1A1 | C3v | 4.280 | 1998Gus/Rui:163 | |
CH3OH | Methyl alcohol | 1A' | Cs | 3.210 | 1998Gus/Rui:163 | |
CHONH2 | formamide | 1A' | Planar | 4.080 | 1998Gus/Rui:163 | |
N2O4 | Dinitrogen tetroxide | 1Ag | D2d | 6.495 | 2015Tha/Wu:144302 | authors question uncertainty |
PF5 | Phosphorus pentafluoride | 1A1' | D3h | 3.650 | 1998Gus/Rui:163 | |
CH3SH | Methanethiol | 1A' | Cs | 5.186 | 2015Tha/Wu:144302 | |
C2H3Cl | Ethene, chloro- | 1A' | Cs | 6.410 | HCP_Polar | |
CH2CCl2 | Ethene, 1,1-dichloro- | 1A1 | C2v | 7.830 | 1998Gus/Rui:163 | |
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1A1 | C2v | 8.030 | 1998Gus/Rui:163 | |
CHClCHCl | Ethene, 1,2-dichloro-, (E)- | 1Ag | C2h | 8.150 | 1998Gus/Rui:163 | |
CHClCCl2 | Trichloroethylene | 1A' | Cs | 9.751 | 1998Gus/Rui:163 | |
C2H3Br | vinyl bromide | 1A' | Cs | 7.590 | HCP_Polar | |
CH2CCH2 | allene | 1A1 | D2d | 5.690 | 1984Gra/Gub | |
CH3CCH | propyne | 1A' | C3v | 5.550 | 1998Gus/Rui:163 | |
CH3NH2 | methyl amine | 1A' | Cs | 3.754 | 1997Oln/Can:59 | |
C3H2N2 | Malononitrile | 1A1 | Cs | 5.790 | 1998Gus/Rui:163 | |
CH3CHO | Acetaldehyde | 1A' | Cs | 4.278 | 1997Oln/Can:59 | |
C2H4O | Ethylene oxide | 1A1 | C2v | 4.431 | 1998Gus/Rui:163 | |
CH3NO2 | Methane, nitro- | 1A' | Cs | 4.800 | 1998Gus/Rui:163 | |
C2H4S | Thiirane | 1A1 | C2v | 6.910 | 1998Gus/Rui:163 | |
SF6 | Sulfur Hexafluoride | 1A1G | Oh | 4.490 | 1998Gus/Rui:163 | |
CCl3CHO | trichloroacetaldehyde | 1A' | Cs | 10.500 | 1998Gus/Rui:163 | |
SeF6 | Selenium hexafluoride | 1A1G | Oh | 5.320 | 1998Gus/Rui:163 | |
B2H6 | Diborane | 1Ag | D2h | 5.115 | 2015Tha/Wu:144302 | |
C2H6 | Ethane | 1A1g | D3d | 4.226 | 1997Oln/Can:59 | |
CH2CHCHO | Acrolein | 1A' | Cs | 6.379 | 1998Gus/Rui:163 | |
CH3OCHO | methyl formate | 1A' | Cs | 5.050 | 1998Gus/Rui:163 | |
CH3COOH | Acetic acid | 1A' | Cs | 5.149 | 1998Gus/Rui:163 | |
C2H5F | fluoroethane | 1A' | Cs | 4.164 | 2015Tha/Wu:144302 | |
CH3CF3 | Ethane, 1,1,1-trifluoro- | 1A1 | C3v | 4.400 | 1998Gus/Rui:163 | |
CF3CH2F | 1,1,1,2-tetrafluoroethane | 1A' | Cs | 4.549 | 2015Tha/Wu:144302 | |
CF3CHF2 | pentafluoroethane | 1A' | Cs | 4.623 | 2015Tha/Wu:144302 | |
C2F6 | hexafluoroethane | 1A1g | D3d | 4.668 | 2015Tha/Wu:144302 | |
Si2H6 | disilane | 1Eu | D3d | 9.410 | 1998Gus/Rui:163 | |
CH3CH2Cl | Ethyl chloride | 1A' | Cs | 6.590 | 1998Gus/Rui:163 | |
CH2FCH2Cl | Ethane, 1-chloro-2-fluoro- | 1A' | Cs | 6.499 | 1998Gus/Rui:163 | |
CH3CHCl2 | Ethane, 1,1-dichloro- | 1A' | Cs | 8.161 | 1998Gus/Rui:163 | |
CH2ClCH2Cl | Ethane, 1,2-dichloro- | 1Ag | C2h | 8.000 | 1998Gus/Rui:163 | |
CH2ClCHCl2 | 1,1,2-trichloroethane | 1A | C1 | 10.260 | 1998Gus/Rui:163 | |
CH3CCl3 | Ethane, 1,1,1-trichloro- | 1A1 | C3v | 10.120 | 1998Gus/Rui:163 | |
Al2Cl6 | Aluminum, di-μ-chlorotetrachlorodi- | 1AG | D2h | 17.886 | 2015Tha/Wu:144302 | |
CHCl2CHF2 | 1,1-dichloro-2,2-difluoroethane | 1A' | Cs | 8.401 | 1998Gus/Rui:163 | |
C2H5Br | Ethyl bromide | 1A' | Cs | 7.280 | HCP_Polar | |
C3H6 | Cyclopropane | 1A1' | D3h | 5.640 | 1984Gra/Gub | |
CH2CHCH3 | Propene | 1A' | Cs | 5.990 | 1998Gus/Rui:163 | |
C2H5CN | ethyl cyanide | 1A' | Cs | 6.240 | 1998Gus/Rui:163 | |
C3H4N2 | 1H-Pyrazole | 1A' | Cs | 7.230 | 1990Mil:8533 | |
C3H4N2 | 1H-Imidazole | 1A' | Cs | 7.090 | 1990Mil:8533 | |
CH3OCH3 | Dimethyl ether | 1A1 | C2v | 5.160 | 1984Gra/Gub | |
CH3CH2OH | Ethanol | 1A' | Cs | 5.112 | 1984Gra/Gub | |
CH3CONH2 | Acetamide | 1A' | C1 | 5.670 | 1998Gus/Rui:163 | |
C4H4O | Furan | 1A1 | C2 | 7.230 | 1998Gus/Rui:163 | |
CH3SCH3 | Dimethyl sulfide | 1A1 | C2v | 7.550 | 1984Gra/Gub | |
CH3CH2SH | ethanethiol | 1A' | Cs | 7.380 | 1998Gus/Rui:163 | |
C4H4S | Thiophene | 1A1 | C2v | 9.010 | 1998Gus/Rui:163 | |
C3H5Cl | 1-Propene, 3-chloro- | 1A | C1 | 7.400 | 1998Gus/Rui:163 | |
CH2ClCH2OH | 2-Chloroethanol | 1A' | Cs | 6.880 | 1998Gus/Rui:163 | |
CH2CHCHCH2 | 1,3-Butadiene | 1Ag | C2h | 8.881 | 1998Gus/Rui:163 | |
CHCCH2CH3 | 1-Butyne | 1A' | Cs | 7.410 | HCP_Polar | |
CH3CCCH3 | 2-Butyne | 1A1' | D3h | 7.480 | 1998Gus/Rui:163 | |
CH3NHCH3 | Dimethylamine | 1A' | Cs | 5.447 | 1997Oln/Can:59 | |
CH3CH2NH2 | Ethylamine | 1A' | Cs | 5.870 | 1998Gus/Rui:163 | |
C4H5N | Pyrrole | 1A1 | C2v | 7.940 | 1998Gus/Rui:163 | |
C4H5N | (E)-2-Butenenitrile | 1A' | Cs | 8.201 | 1998Gus/Rui:163 | |
CH3CH2CHO | Propanal | 1A' | Cs | 6.350 | 1998Gus/Rui:163 | |
CH3COCH3 | Acetone | 1A1 | C2v | 6.270 | 1998Gus/Rui:163 | |
C2H6O2 | 1,2-Ethanediol | 1Ag | C2h | 5.710 | 1998Gus/Rui:163 | |
C4H4O2 | 2-Oxetanone, 4-methylene- | 1A | C1 | 8.000 | 1998Gus/Rui:163 | |
CH3SOCH3 | Dimethyl sulfoxide | 1A' | Cs | 7.969 | 1998Gus/Rui:163 | |
C3H8 | Propane | 1A1 | C2v | 5.921 | 1997Oln/Can:59 | |
C5H5N | Pyridine | 1A1 | C2v | 9.493 | 1984Gra/Gub | |
CHOCHCHCH3 | 2-Butenal | 1A' | Cs | 8.500 | 1998Gus/Rui:163 | |
HCOOC2H5 | Ethyl formate | 1A' | Cs | 6.880 | 1998Gus/Rui:163 | |
CH3CH2COOH | Propanoic Acid | 1A' | Cs | 6.960 | 1998Gus/Rui:163 | |
CH3COOCH3 | methyl acetate | 1A' | Cs | 6.811 | 1998Gus/Rui:163 | |
C3F8 | perfluoropropane | 1A1 | C2v | 6.525 | 2015Tha/Wu:144302 | |
C2H6O2S | Dimethyl sulfone | 1A1 | C2v | 8.401 | 1998Gus/Rui:163 | |
CH2ClCH2CH3 | Propane, 1-chloro- | 1A' | anti | 10.000 | HCP_Polar | |
CH3CHBrCH3 | i-propyl bromide | 1A' | Cs | 9.600 | HCP_Polar | |
CH3CH2CH2Br | n-propyl bromide | 1A' | Cs | 9.070 | 1990Mil:8533 | |
CH2CHCH2CH3 | 1-Butene | 1A | C1 | 7.830 | 1998Gus/Rui:163 | |
CH2C(CH3)CH3 | 1-Propene, 2-methyl- | 1A1 | C2v | 7.880 | 1998Gus/Rui:163 | |
CH3CHCHCH3 | 2-Butene, (E)- | 1Ag | C2h | 7.880 | 1998Gus/Rui:163 | |
C6H6 | Benzene | 1A1g | D6h | 9.959 | 1998Gus/Rui:163 | |
CH3CH(CH3)CN | Propanenitrile, 2-methyl- | 1A' | Cs | 8.049 | 1998Gus/Rui:163 | |
CH3CH2CH2CN | Butanenitrile | 1A' | Cs | 8.400 | HCP_Polar | |
B3N3H6 | borazine | 1A1' | D3h | 8.000 | HCP_Polar | |
C3H7OH | 1-Propanol | 1A' | Cs | 6.670 | 1998Gus/Rui:163 | |
CH3CHOHCH3 | Isopropyl alcohol | 1A | C1 | 6.670 | 1998Gus/Rui:163 | |
C3H7NO | dimethylformamide | 1A' | Cs | 7.809 | 1998Gus/Rui:163 | |
C4H6O2 | 2,3-Butanedione | 1Ag | C2h | 8.201 | 1998Gus/Rui:163 | |
C3H6O3 | 1,3,5-Trioxane | 1A1 | C1 | 7.020 | 1998Gus/Rui:163 | |
C6H4O2 | parabenzoquinone | 1Ag | D2h | 11.229 | 1998Gus/Rui:163 | |
C4H4N2O2 | Uracil | 1A' | Cs | 10.090 | 1998Gus/Rui:163 | |
C6H5F | Fluorobenzene | 1A1 | C2v | 10.200 | 1984Gra/Gub | |
C6F6 | hexafluorobenzene | 1A1G | D6h | 9.580 | HCP_Polar | |
C6H5Cl | chlorobenzene | 1A1 | C2v | 11.861 | 1998Gus/Rui:163 | |
C6H4Cl2 | 1,3-dichlorobenzene | 1A1 | C2v | 13.729 | 1998Gus/Rui:163 | |
C6H5Br | bromobenzene | 1A1 | C2v | 14.700 | HCP_Polar | |
C5H8 | Spiropentane | 1A1 | D2d | 8.049 | 1998Gus/Rui:163 | |
NH2CH2CH2CH3 | 1-Propanamine | 1A' | Cs | 7.700 | 1998Gus/Rui:163 | |
N(CH3)3 | Trimethylamine | 1A1 | C3v | 7.076 | 1997Oln/Can:59 | |
CH3CH(NH2)CH3 | 2-Propanamine | 1A' | Cs | 7.769 | 1998Gus/Rui:163 | |
C6H5CN | phenyl cyanide | 1A1 | C2v | 11.981 | 1998Gus/Rui:163 | |
CH3COCH2CH3 | 2-Butanone | 1A' | Cs | 8.190 | 1998Gus/Rui:163 | |
CHOCH2CH2CH3 | Butanal | 1A' | Cs | 8.180 | 1998Gus/Rui:163 | |
C3H8O2 | Methane, dimethoxy- | 1A | C2 | 7.700 | 1998Gus/Rui:163 | |
C3H7ONO | Propyl nitrite | 1A' | Cs | 8.500 | 1998Gus/Rui:163 | |
C6H5OH | phenol | 1A' | Cs | 10.909 | 1998Gus/Rui:163 | |
CH3CH2CH2CH3 | Butane | 1Ag | Anti | 8.020 | 1998Gus/Rui:163 | |
CH3CH(CH3)CH3 | Isobutane | 1A1 | C3v | 8.009 | 1998Gus/Rui:163 | |
C6H5NH2 | aniline | 1A' | Cs | 11.581 | 1998Gus/Rui:163 | |
C5H8O | Cyclopentanone | 1A | C2 | 9.250 | 1998Gus/Rui:163 | |
C4H8O2 | 1,4-Dioxane | 1Ag | C2h | 8.430 | 1998Gus/Rui:163 | |
C4H8O2 | Ethyl acetate | 1A' | Cs | 8.620 | 1998Gus/Rui:163 | |
C4H8O2 | Butanoic acid | 1A | C1 | |||
C3H8O3 | 1,2,3-Propanetriol | 1A | C1 | 7.860 | 1998Gus/Rui:163 | |
C6H5CHO | benzaldehyde | 1A' | Cs | 12.800 | 1998Gus/Rui:163 | |
C6H5NO2 | Nitrobenzene | 1A1 | C2v | 12.259 | 1998Gus/Rui:163 | |
CH2ClCH2CH2CH3 | Butane, 1-chloro- | 1A' | Cs | 11.301 | 1998Gus/Rui:163 | |
CH3CHClCH2CH3 | Butane, 2-chloro- | 1A | C1 | 12.499 | 1998Gus/Rui:163 | |
CH3CCl(CH3)CH3 | Propane, 2-chloro-2-methyl- | 1A1 | C3v | 9.879 | 1998Gus/Rui:163 | |
C5H10 | Cyclopentane | 1A | C1 | 9.170 | 1998Gus/Rui:163 | |
C5H10 | 2-Pentene, (E)- | 1A' | Cs | 9.839 | 1998Gus/Rui:163 | |
CH2CHCH2CH2CH3 | 1-pentene | 1A | C1 | 9.650 | 1998Gus/Rui:163 | |
C6H5CH3 | toluene | 1A' | Cs | 11.861 | 1998Gus/Rui:163 | |
C5H9N | Propanenitrile, 2,2-dimethyl- | 1A1 | C1 | 9.591 | 1998Gus/Rui:163 | |
C4H10O | Methyl propyl ether | 1A | C1 | 8.860 | 1998Gus/Rui:163 | |
C4H10O | 2-Butanol, (.+/-.)- | 1A | C1 | 8.570 | 1998Gus/Rui:163 | |
C4H10O | Ethoxy ethane | 1A1 | C2v | 8.730 | 1998Gus/Rui:163 | |
C4H10O | 1-Butanol | 1A' | Cs | 8.570 | 1998Gus/Rui:163 | |
C2H5SC2H5 | Diethyl sulfide | 1A1 | C2v | 10.549 | 1998Gus/Rui:163 | |
C6H10 | 1-Hexyne | 1A' | Cs | 10.900 | 1998Gus/Rui:163 | |
C6H5CHCH2 | Styrene | 1A' | Cs | 14.409 | 1998Gus/Rui:163 | |
C5H10O | 3-Pentanone | 1A1 | C2v | 9.930 | 1998Gus/Rui:163 | |
C5H10O | 2-Pentanone | 1A' | Cs | 9.930 | 1998Gus/Rui:163 | |
C6H5OCH3 | Anisole | 1A' | Cs | 13.100 | 1998Gus/Rui:163 | |
C5H12 | Pentane | 1A1 | C2v | 9.879 | 1998Gus/Rui:163 | |
C5H12 | Butane, 2-methyl- | 1A | C1 | 8.770 | 1998Gus/Rui:163 | |
C5H12 | Propane, 2,2-dimethyl- | 1A1 | Td | 10.240 | 1998Gus/Rui:163 | |
C5H11N | Piperidine | 1A' | NH equatorial | 10.320 | 1998Gus/Rui:163 | |
C6H10O | cyclohexanone | 1A' | Cs | 11.061 | 1998Gus/Rui:163 | |
C5H11Cl | Pentane, 1-chloro- | 1A' | Cs | 12.000 | 1998Gus/Rui:163 | |
C6H12 | hex-1-ene | 1A' | Cs | 11.650 | 1998Gus/Rui:163 | |
C6H12 | Cyclohexane | 1A1g | Chair | 11.000 | HCP_Polar | |
CH3C6H4CH3 | paraxylene | 1Ag | C2h | 14.260 | 1990Mil:8533 | |
C10H8 | naphthalene | 1Ag | D2h | 17.400 | 1998Gus/Rui:163 | |
C10H8 | Azulene | 1A1 | C2v | 15.520 | 1998Gus/Rui:163 | |
C5H12O | Propane, 1-ethoxy- | 1A' | Cs | 10.680 | 1998Gus/Rui:163 | |
C5H12O | 1-Pentanol | 1A' | Cs | 11.581 | 1998Gus/Rui:163 | |
C6H14 | Hexane | 1Ag | C2h | 11.630 | 1998Gus/Rui:163 | |
C3H7OC3H7 | di-n-propyl ether | 1A1 | C2v | 12.219 | 1998Gus/Rui:163 | |
C12H10 | biphenyl | 1A | D2 | 19.640 | 1998Gus/Rui:163 | |
C6H15N | triethylamine | 1A | C3 | 13.380 | 1998Gus/Rui:163 | |
C7H16 | heptane | 1A1 | C2v | 13.371 | 1998Gus/Rui:163 | |
C14H10 | Anthracene | 1Ag | D2h | 26.700 | 1998Gus/Rui:163 | |
C14H10 | Phenanthrene | 1A1 | C2v | 24.779 | 1998Gus/Rui:163 | |
C8H18 | Octane | 1AG | C2h | 15.239 | 1998Gus/Rui:163 | |
(CH3)3CC(CH3)3 | tetramethylbutane | 1A1 | D3d | 15.610 | 1998Gus/Rui:163 | |
C10H16 | adamantane | 1A1 | Td | 15.930 | 2015Tha/Wu:144302 | |
C16H10 | Pyrene | 1Ag | D2h | 29.720 | 1998Gus/Rui:163 | |
C9H20 | Nonane | 1A1 | C2v | 17.370 | 1998Gus/Rui:163 | |
C10H22 | Decane | 1AG | C2h | 19.100 | HCP_Polar | |
C24H12 | Coronene | 1A1G | D6h | 42.499 | HCP_Polar | |
C60 | Buckminsterfullerene | 1AG | Ih | 79.000 | 2000Bal/Bon:5732 |
squib | reference | DOI |
---|---|---|
1951LB1.3:509 | Landolt-Bornstein Vol 1 part 3 p509 (1951) | |
1972Gra/Dag:710 | J Graff, PG Dagdigian, L Wharton "Electric Resonance Spectrum of NaLi" J. Chem. Phys. 57(2), 710-714, 1972 | 10.1063/1.1678303 |
1977Mil/Bed:1 | TM Miller, B Bederson, "" Adv. At. Mol. Phys. 13, 1, 1977 | 10.1016/S0065-2199(08)60054-8 |
1984Gra/Gub | CG Gray, KE Gubbins "Theory of molecular fluids. Volume 1:Fundamentals" Clarendon Press, Oxford 1984 | |
1990Mil:8533 | KJ Miller "Additivity Methods in Molecular Polarizability" J. Am. Chem. Soc. 1990, 112, 8533-8542 | 10.1021/ja00179a044 |
1997Oln/Can:59 | TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98 | 10.1016/S0301-0104(97)00145-6 |
1998Gus/Rui:163 | M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215 | 10.1016/S0022-2860(97)00292-5 |
2000Bal/Bon:5732 | A Ballard, K Bonin, J Louderback "Absolute Measurement of the optical polarizability of C60" J. Chem. Phys. 113, 5732 (2000) | 10.1063/1.1290472 |
2000Jac/Kom:012509 | PL Jacobsen, RA Komara, WG Sturrus, SR Lundeen "Microwave spectroscopy of heliumlike Rydberg states of H2 and D2: Determination of the dipole polarizabilities of H2+ and D2+ ground states" Physical Review A 62, 012509 (2000) | 10.1103/PhysRevA.62.012509 |
2015Tha/Wu:144302 | AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015) | 10.1063/1.4932594 |
HCP_Polar | TM Miller, Handbook of Chemistry and Physics Online (http://hbcponline.com/faces/documents/10_04/10_04_0001.xhtml) |
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