Timeline for What is the hybridization of terminal fluorine atoms in molecules like boron trifluoride?
Current License: CC BY-SA 3.0
10 events
| when toggle format | what | by | license | comment | |
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| Aug 8, 2017 at 0:51 | comment | added | Jan | It would have ended up more or less at the same conclusion except without the cool orbital calculations and more based on thought experiments ;) | |
| Aug 7, 2017 at 13:29 | comment | added | Martin - マーチン♦ | @samjoe It is a computational method to calculate approximations for the wave function. In this case it is a density functional with a specific basis set. This level usually give reasonable results for not much computational cost. The details of the methodology are only interesting for those who are regularly working with it. For the intents of this answer, you can ignore it. It's just a more accurate way to generate orbitals than guessing. | |
| Aug 7, 2017 at 13:07 | comment | added | jonsno | @Martin-マーチン What is DF-BP86/def2-SVP theory? | |
| Aug 7, 2017 at 12:04 | comment | added | Martin - マーチン♦ | @Jan I hope you would have been saying the same, and I also hope I didn't ruin too much of your work. Knowing that, I'm glad I hit send before I went to the seminar then, it would most likely have been the other way around ;) | |
| Aug 7, 2017 at 9:41 | comment | added | Jan | Hehe, I started writing up an answer but then I had to go back to the wet lab. You obviously beat me to it ;) | |
| Aug 7, 2017 at 7:58 | history | edited | Martin - マーチン♦ | CC BY-SA 3.0 |
added numbers of the NBO analysis for the sake of completeness
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| Aug 7, 2017 at 7:13 | vote | accept | jonsno | ||
| Aug 7, 2017 at 6:30 | comment | added | Martin - マーチン♦ | @samjoe it is true for all terminal atoms. To a lesser extent for very heavy elements because of the general lack of hybridisation due to a large s p gap. | |
| Aug 7, 2017 at 6:27 | comment | added | jonsno | Thanks! Is it true for all Halogen atoms like $F,Cl$ etc in such compounds like $PCl_3$ or $CH_3Cl$ ? | |
| Aug 7, 2017 at 6:03 | history | answered | Martin - マーチン♦ | CC BY-SA 3.0 |