Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex.
Theoretical investigation of the rearrangement reaction was carried out. The relative energies of the reactant and possible products were determined using a hybrid QM/MM method with the ONIOM approach. The theoretical results indicate that the lower energy structures were those of the experimenta...
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
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2008
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| Online Access: | http://hdl.handle.net/10356/14254 |
| _version_ | 1811690994555420672 |
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| author | Tan, Siok Gim. |
| author2 | Leung, Pak Hing |
| author_facet | Leung, Pak Hing Tan, Siok Gim. |
| author_sort | Tan, Siok Gim. |
| collection | NTU |
| description | Theoretical investigation of the rearrangement reaction was carried out. The
relative energies of the reactant and possible products were determined using a hybrid
QM/MM method with the ONIOM approach. The theoretical results indicate that the
lower energy structures were those of the experimentally obtained products. The
combination of experimental and theoretical investigations shows that the reaction
was controlled by thermodynamics. |
| first_indexed | 2024-10-01T06:12:50Z |
| format | Thesis |
| id | ntu-10356/14254 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T06:12:50Z |
| publishDate | 2008 |
| record_format | dspace |
| spelling | ntu-10356/142542023-02-28T23:49:03Z Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. Tan, Siok Gim. Leung, Pak Hing School of Physical and Mathematical Sciences Deng, Weiqiao DRNTU::Science::Chemistry Theoretical investigation of the rearrangement reaction was carried out. The relative energies of the reactant and possible products were determined using a hybrid QM/MM method with the ONIOM approach. The theoretical results indicate that the lower energy structures were those of the experimentally obtained products. The combination of experimental and theoretical investigations shows that the reaction was controlled by thermodynamics. Master of Science 2008-11-12T01:13:08Z 2008-11-12T01:13:08Z 2008 2008 Thesis http://hdl.handle.net/10356/14254 en 155 p. application/pdf |
| spellingShingle | DRNTU::Science::Chemistry Tan, Siok Gim. Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title | Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title_full | Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title_fullStr | Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title_full_unstemmed | Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title_short | Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex. |
| title_sort | platinum ii catalyzed transformations of a dialkynylphosphine coordinated platinum ii complex |
| topic | DRNTU::Science::Chemistry |
| url | http://hdl.handle.net/10356/14254 |
| work_keys_str_mv | AT tansiokgim platinumiicatalyzedtransformationsofadialkynylphosphinecoordinatedplatinumiicomplex |