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Different substituted phenyl carbenes / silylenes/ germylenes: a survey of stability
| Content Provider | Semantic Scholar |
|---|---|
| Author | Fereshteh, Naderi Rahimeh, Bagheri Mohammad, Yari |
| Copyright Year | 2013 |
| Abstract | The effects of halogens; fluorine, chlorine and bromine, on the stability and multiplicity of phenyl carbenes / silylenes/ germylenes structures are compared and contrasted at B3LYP/6-311++G** //B3LYP/6-31+G* level. The singlet-triplet energy gaps, ∆ES-T , values for all the above species increase through fluorinated up, ∆ES-Ts and ∆EHOMO–LUMOs support the stability of the singlet states inspite of their corresponding triplet states. The investigations reveal that F, Cl and Br stabilize singlet states more than their corresponding triplet states. The reactivity of the species is discussed in terms of nucleophilicity and electrophilicity. This detailed study offers new insights into the chemistry of these classes of carbenes / silylenes/ germylenes. |
| Starting Page | 281 |
| Ending Page | 288 |
| Page Count | 8 |
| File Format | PDF HTM / HTML |
| Volume Number | 9 |
| Alternate Webpage(s) | http://jptc.srbiau.ac.ir/article_2581_b154a2f47478a0003c09df439ee94560.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
