<b>NMR spectroscopic study and DFT calculations of vibrational analyses, GIAO NMR shieldings and <sup>1</sup>J<sub>CH</sub>, <sup>1</sup>J<sub>CC</sub> spin-spin coupling constants of 1,7-diaminoheptane</b>

<b>NMR spectroscopic study and DFT calculations of vibrational analyses, GIAO NMR shieldings and <sup>1</sup>J<sub>CH</sub>, <sup>1</sup>J<sub>CC</sub> spin-spin coupling constants of 1,7-diaminoheptane</b>

Vibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. <sup>1</sup>H, proton coupled and uncoupled <sup>13</sup>C, <sup>15</sup&g...

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Bibliographic Details
Main Authors: Mustafa Şenyel, Cemal Parlak, Özgür Alver
Format: Article
Language:English
Published: Chemical Society of Ethiopia 2009-04-01
Series:Bulletin of the Chemical Society of Ethiopia
Subjects:
1
7-Diaminoheptane
Vibrational assignments
NMR
GIAO
DFT
Online Access:http://www.ajol.info/index.php/bcse/article/view/21302

Internet

http://www.ajol.info/index.php/bcse/article/view/21302

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