| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374063 | Chemical Physics | 2013 | 8 Pages |
Abstract
⺠BDE(Se-H)s of C6H5SeH and its para and meta-substituted derivatives are calculated. ⺠A relationship between the BDE(Se-H)s and Mulliken atomic spin densities of YC6H4Se radical is found. ⺠Good correlations are also observed between the BDE(Se-H)s and the Hammett's parameters. ⺠The proton affinity of C6H5SeH is evaluated to be in the range of 814-818 kJ/mol. ⺠Ionization energies (IE) of the substituted benzeneselenols are also evaluated.
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Physical Sciences and Engineering
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Authors
Pham Cam Nam, Minh Tho Nguyen,