Ab initio NMR studies of chemical constituents of piper sarmentosum
The structures of two compounds,gamma-asarone (1-ally1-2,4,5-trimethoxybenzene) {1} and asarylaldehyde (2,4,5-trimethoxybenzaldehyde) {2) from Piper sarmentosum, locally known as 'kaduk', have been studied by HNMR, CNMR spectroscopy and quantum chemical calculations. The NMR shifts are cal...
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| Format: | Article |
| Language: | English |
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Universiti Malaya
2002
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| Online Access: | http://irep.iium.edu.my/34909/1/MJS_2002.pdf |
| _version_ | 1825647821323239424 |
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| author | Ibrahim Ali , Noorbatcha |
| author_facet | Ibrahim Ali , Noorbatcha |
| author_sort | Ibrahim Ali , Noorbatcha |
| collection | IIUM |
| description | The structures of two compounds,gamma-asarone (1-ally1-2,4,5-trimethoxybenzene) {1} and asarylaldehyde (2,4,5-trimethoxybenzaldehyde) {2) from Piper sarmentosum, locally known as 'kaduk', have been studied by HNMR, CNMR spectroscopy and quantum chemical calculations. The NMR shifts are calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. We find that the ab initio calculations are very useful in assigning the NMR peaks and provide insights on the electronic factors affecting the NMR shifts. |
| first_indexed | 2024-03-05T23:23:14Z |
| format | Article |
| id | oai:generic.eprints.org:34909 |
| institution | International Islamic University Malaysia |
| language | English |
| last_indexed | 2024-03-05T23:23:14Z |
| publishDate | 2002 |
| publisher | Universiti Malaya |
| record_format | dspace |
| spelling | oai:generic.eprints.org:349092014-02-20T01:03:28Z http://irep.iium.edu.my/34909/ Ab initio NMR studies of chemical constituents of piper sarmentosum Ibrahim Ali , Noorbatcha QD Chemistry The structures of two compounds,gamma-asarone (1-ally1-2,4,5-trimethoxybenzene) {1} and asarylaldehyde (2,4,5-trimethoxybenzaldehyde) {2) from Piper sarmentosum, locally known as 'kaduk', have been studied by HNMR, CNMR spectroscopy and quantum chemical calculations. The NMR shifts are calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. We find that the ab initio calculations are very useful in assigning the NMR peaks and provide insights on the electronic factors affecting the NMR shifts. Universiti Malaya 2002-06-10 Article PeerReviewed application/pdf en http://irep.iium.edu.my/34909/1/MJS_2002.pdf Ibrahim Ali , Noorbatcha (2002) Ab initio NMR studies of chemical constituents of piper sarmentosum. Malaysian Journal of Science, 21. pp. 141-145. ISSN 1394-3065 http://e-journal.um.edu.my/public/issue-view.php?id=266&journal_id=58# |
| spellingShingle | QD Chemistry Ibrahim Ali , Noorbatcha Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title | Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title_full | Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title_fullStr | Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title_full_unstemmed | Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title_short | Ab initio NMR studies of chemical constituents of piper sarmentosum |
| title_sort | ab initio nmr studies of chemical constituents of piper sarmentosum |
| topic | QD Chemistry |
| url | http://irep.iium.edu.my/34909/1/MJS_2002.pdf |
| work_keys_str_mv | AT ibrahimalinoorbatcha abinitionmrstudiesofchemicalconstituentsofpipersarmentosum |