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Table 5 NBO analysis for some significant orbital interactions of the formed complex

From: Potentiometric sensor for iron (III) quantitative determination: experimental and computational approaches

Donor atom-number

Acceptor

E (2) (kcal/mol)

O-37

LP* Fe

0.36

O-38

LP* Fe

0.73

O-39

LP* Fe

0.81

O-40

LP* Fe

0.72

O-41

LP* Fe

1.68

O-42

LP* Fe

0.21

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BMC Chemistry

ISSN: 2661-801X

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