Hexahelicene
- Formula: C26H16
- Molecular weight: 328.4052
- IUPAC Standard InChI: InChI=1S/C26H16/c1-3-7-22-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)26(21)24(19)22/h1-16H
- IUPAC Standard InChIKey: UOYPNWSDSPYOSN-UHFFFAOYSA-N
- CAS Registry Number: 187-83-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phenanthro[3,4-c]phenanthrene; [6]Helicene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C26H16+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.37 | PE | Obenland and Schmidt, 1975 | |
| 7.37 | PE | Obenland and Schmidt, 1975 | Vertical value |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 33165 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 280. | 3260. | Nicoud, Balavoine, et al., 1972 | Nitrogen, Gas-Chrom Q |
| Packed | OV-1 | 300. | 3320. | Nicoud, Balavoine, et al., 1972 | Nitrogen, Gas-Chrom Q |
| Packed | OV-1 | 300. | 3335. | Nicoud, Balavoine, et al., 1972 | Nitrogen, Gas-Chrom Q |
| Packed | OV-1 | 280. | 3260. | Nicoud, Moradpour, et al., 1972 | Nitrogen, Gas-Chrom Q (60-80 mesh); Column length: 4. m |
| Packed | OV-1 | 300. | 3320. | Nicoud, Moradpour, et al., 1972 | Nitrogen, Gas-Chrom Q (60-80 mesh); Column length: 4. m |
| Packed | OV-1 | 300. | 3335. | Nicoud, Moradpour, et al., 1972 | Nitrogen, Gas-Chrom Q (60-80 mesh); Column length: 4. m |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 509.79 | Bemgard, Colmsjo, et al., 1992 | Column length: 25. m; Column diameter: 0.32 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C |
| Capillary | XTI-5 | 509.74 | Bemgard, Colmsjo, et al., 1992 | Column length: 15. m; Column diameter: 0.28 mm; Program: 140C (2min) => (rapidly) => 200C(2min) => 5C/min => 370C |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Obenland and Schmidt, 1975
Obenland, S.; Schmidt, W.,
Photoelectron spectra of polynuclear aromatics. IV. The helicenes,
J. Am. Chem. Soc., 1975, 97, 6633. [all data]
Nicoud, Balavoine, et al., 1972
Nicoud, J.F.; Balavoine, G.; Kagan, H.; Martin, R.H.; Deblecker, M.,
Chromatographie en phase vapeur d'helicenes et de diaryl-1,2-ethylenes,
J. Chromatogr., 1972, 66, 1, 43-53, https://doi.org/10.1016/S0021-9673(01)82926-5
. [all data]
Nicoud, Moradpour, et al., 1972
Nicoud, J.F.; Moradpour, A.; Balavoine, G.; Kagan, H.; Martin, R.H.; Deblecker, M.,
Chromatographie en phase vapeur d'helicenes et de diaryl-1,2 ethylenes,
J. Chromatogr., 1972, 66, 1, 43-53, https://doi.org/10.1016/S0021-9673(01)82926-5
. [all data]
Bemgard, Colmsjo, et al., 1992
Bemgard, A.; Colmsjo, A.; Lundmark, B.-O.,
Gas chromatographic analysis of high-molecular-weight polynuclear aromatic hydrocarbons. I. Molecular weight 328,
J. Chromatogr., 1992, 595, 1-2, 247-258, https://doi.org/10.1016/0021-9673(92)85167-R
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
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