Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C2H5I | Ethyl iodide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCI | 2.151 | 1988Ina/Fuj:456-468 | 1 | 3 | |||
rCC | 1.521 | 1988Ina/Fuj:456-468 | 1 | 2 | |||
rHC | 1.086 | 1988Ina/Fuj:456-468 | 1 | 4 | |||
rHC | 1.093 | 1988Ina/Fuj:456-468 | ass. | 2 | 6 | ||
rHC | 1.093 | 1988Ina/Fuj:456-468 | 2 | 7 | |||
aCCI | 111.6 | 1988Ina/Fuj:456-468 | 2 | 1 | 3 | ||
aHCI | 104.8 | 1988Ina/Fuj:456-468 | 3 | 1 | 4 | ||
aHCC | 112.6 | 1988Ina/Fuj:456-468 | 2 | 1 | 4 | ||
aHCH | 109.9 | 1988Ina/Fuj:456-468 | 4 | 1 | 5 | ||
aHCC | 108.6 | 1988Ina/Fuj:456-468 | 1 | 2 | 6 | ||
aHCC | 110.8 | 1988Ina/Fuj:456-468 | 1 | 2 | 7 | ||
aHCH | 109.3 | 1988Ina/Fuj:456-468 | 6 | 2 | 7 | ||
aHCH | 107.9 | 1988Ina/Fuj:456-468 | 7 | 2 | 8 |
squib | reference |
---|---|
1988Ina/Fuj:456-468 | T INAGUSA, M FUJITAKE, M HAYASHI "Microwave Spectrum, rs Structure, Dipole Moment, and Nuclear Quadrupole Coupling Constant Tensor of Ethyl Iodide" JOURNAL OF MOLECULAR SPECTROSCOPY 128,456-468 (1988) |