Borane, dichlorophenyl-
- Formula: C6H5BCl2
- Molecular weight: 158.821
- IUPAC Standard InChI: InChI=1S/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H
- IUPAC Standard InChIKey: NCQDQONETMHUMY-UHFFFAOYSA-N
- CAS Registry Number: 873-51-8
- 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: Dichlorophenylborane; Phenylboron dichloride; Phenyldichloroborane; Dichlorophenylboron
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | PE | Ramsey and O'Neill, 1977 | LLK |
| 9.52 | PE | Ramsey and O'Neill, 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H5BCl+ | 12.88 ± 0.14 | Cl | EI | Lockhart and Kelly, 1968 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ramsey and O'Neill, 1977
Ramsey, B.G.; O'Neill, S.J.,
A comparison of modified CNDO/2 calculations and the photoelectron, NMR, and UV spectroscopic properties of boron- substituted monophenylboranes,
J. Organomet. Chem., 1977, 141, 257. [all data]
Lockhart and Kelly, 1968
Lockhart, J.C.; Kelly, P.,
Mass spectrum of phenylboron dichloride and the ionic bond energy D(PhBCl+Cl-),
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 209. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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