<b>NMR spectroscopic study and DFT calculations of GIAO NMR shieldings and <sup>1</sup>J<sub>CH</sub> spin-spin coupling constants of 1,9-diaminononane</b>
<sup>1</sup>H, proton coupled and decoupled <sup>13</sup>C, DEPT, HETCOR NMR spectra, the magnitude of one bond <sup>1</sup>J<sub>CH</sub> coupling constants and <sup>13</sup>C NMR spin-lattice relaxation time (T<sub>1</sub>) of...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Chemical Society of Ethiopia
2009-12-01
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| Series: | Bulletin of the Chemical Society of Ethiopia |
| Subjects: | |
| Online Access: | http://www.ajol.info/index.php/bcse/article/view/47668 |
| Summary: | <sup>1</sup>H, proton coupled and decoupled <sup>13</sup>C, DEPT, HETCOR NMR spectra, the magnitude of one bond <sup>1</sup>J<sub>CH</sub> coupling constants and <sup>13</sup>C NMR spin-lattice relaxation time (T<sub>1</sub>) of 1,9-diaminononane (danon, C9H22N2) have been reported for the first time. <sup>1</sup>H, <sup>13</sup>C NMR chemical shifts and <sup>1</sup>J<sub>CH</sub> coupling constants of danon have been calculated by means of B3LYP density functional method with 6-311++G(d,p) basis set. Comparison between the experimental and the theoretical results indicates that density functional B3LYP method is able to provide satisfactory results for predicting NMR properties. |
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| ISSN: | 1011-3924 1726-801X |