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http://hdl.handle.net/2248/2483| Title: | Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2 CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules |
| Authors: | Chaudhuri, R. K Krishnamachari, S. L. N. G |
| Keywords: | Ultraviolet Absorption Spectra ketene |
| Issue Date: | May-2008 |
| Publisher: | American Chemical Society |
| Citation: | J. Phys. Chem. A, Vol. 112, No. 18, pp. 4399 - 4404 |
| Abstract: | The adiabatic energies, vibrational frequencies, and geometries of the ground and excited electronic states of formylcarbene and the triplet electronic states of ketene are calculated employing the state-of-the art ab initio methods. With the help of these calculations, certain ultraviolet (UV) absorption bands observed in the flash photolysis of oxazole and iso-oxazole are assigned to formylcarbene and triplet ketene |
| Description: | Restricted Access |
| URI: | http://hdl.handle.net/2248/2483 |
| Appears in Collections: | IIAP Publications |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Theoretical Study on the Electronic States of Formylcarbene Restricted Access | Restricted Access | 76.13 kB | Adobe PDF | View/Open Request a copy |
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