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
View 3d structure (requires JavaScript / HTML 5) - Other names: Phenanthro[3,4-c]phenanthrene; [6]Helicene
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Gas phase ion energetics data
Go To: Top, UV/Visible spectrum, 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 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Newman and Lednicer, 1956 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 12837 |
| Instrument | n.i.g. |
| Melting point | 231-233 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, 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, UV/Visible spectrum, 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]
Newman and Lednicer, 1956
Newman, M.S.; Lednicer, D.,
J. Am. Chem. Soc., 1956, 78, 4765. [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, UV/Visible spectrum, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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