Density Functional Study for Chemical Reaction between Cr and Fe with Sodium Diethyldithiocarbamate (NaDDC)

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概要

• 論文の詳細を見る

•   Analytical chemistry in the perspective of ab initio molecular orbital calculation is introduced by investigating the chemical reaction between transition metals Cr and Fe with sodium diethyldithiocarbamate (NaDDC), a complexing agent to detect and extract Cr in human blood sample. Using density functional theory—based calculations, we determine the stable structure of the Cr-DDC and Fe-DDC complexes and obtain its dissociation energies. We found dissociation energy values of -3.24 and -2.67 eV for Cr and Fe complexes, respectively; and hence the formation of the former complex is more favorable than the formation of the latter.

• 日本真空協会の論文
• 2006-06-20

著者

• Rahman Mahmudur

  Department Of Precision Science & Technology And Applied Physics Osaka University

• Rahman Mahbubar

  Department Of Physics Faculty Of Engineering University Of Tokushima

• Dino Wilson

  Department Of Physics Osaka University

• Dino W

  Osaka Univ. Osaka

• Rahman Md.

  Department Of Precision Science & Technology And Applied Physics Osaka University

• KASAI Hideaki

  Department of Precision Science and Technology and Applied Physics, Osaka University

• Dino W

  Department Of Physics Osaka University

• Muhida Rifki

  Department Of Precision Science & Technology And Applied Physics Osaka University

• Dipojono Hermawan

  Department Of Engineering Physics Institut Teknologi Bandung

• Dino Wilson

  Department Of Applied Physics Osaka University

• MATSUMOTO Shigeno

  Department of Chemical Engineering Faculty of Engineering Kansai University

• KISHI Tomoya

  Department of Applied Physics, Osaka University

• SETIYANTO Henry

  Department of Precision Science and Technology and Applied Physics, Osaka University

• Kasai Hideaki

  Department Of Applied Physics Osaka University

• Rahman Md.

  Department Of Agriculture Bsmrau

• Kishi Tomoya

  Department Of Applied Physics Osaka University

• Setiyanto Henry

  Department Of Precision Science & Technology And Applied Physics Osaka University

• Dino W

  Department Of Applied Physics Osaka University

• Kasai Hideaki

  Department Of Applied Physics Faculty Of Engineering Osaka University

• Kasai Haruo

  Department Of Electronics Chiba University

• Matsumoto Shigeno

  Department Of Precision Science & Technology And Applied Physics Osaka University

• Rahman M

  Department Of Precision Science & Technology And Applied Physics Osaka University

• Dino Wilson

  Department of Applied Physics, Osaka University

• Muhida Rifki

  Department of Applied Physics, Osaka University, Suita, Osaka 565-0871

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