Formation of BH3 Adducts with Pyridine-2-Methylaminophosphine ligands: An experimental and computational study

Adimulam, H and Kukri, D P and Mallik, Bhabani Shankar and Panda, Tarun K (2016) Formation of BH3 Adducts with Pyridine-2-Methylaminophosphine ligands: An experimental and computational study. Journal of Chemical Sciences, 128 (1). pp. 53-60. ISSN 0974-3626

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Abstract

The reaction of pyridine-2-methylaminophosphine [C5H4N-CH2NHPPh2] (1) and pyridine-2-methylphosphinoselenoic amide [C5H4N-CH2NHP(Se)Ph2] (2) with BH3⋅SMe2 yields the corresponding adducts [C5H4N(BH3)-CH2NHP(BH3)Ph2] (1a), and [C5H4N(BH3)-CH2NHP(Se)Ph2] (2a), respectively. The solid state structures of both the compounds were established by single crystal X-ray diffraction analysis. The phosphorus and the pyridine nitrogen atoms are coordinated to the boron atom in the case of 1a whereas only pyridine nitrogen atom is attached to the BH3 group in the case of 2a. To understand the nature of P-B/ N-B bonds and to compare the basicities of pyridine nitrogen, amino nitrogen and phosphorus atoms, density functional theoretical (DFT) calculations were performed on the BH3 adducts 1a and 2a. The results are consistent with the experimental results.

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IITH Creators:
IITH CreatorsORCiD
Mallik, Bhabani Shankarhttp://orcid.org/0000-0001-9657-1497
Panda, Tarun Khttp://orcid.org/0000-0003-0975-0118
Item Type: Article
Uncontrolled Keywords: Pyridine, Borane, DFT calculation, X-ray analysis, HOMO, LUMO
Subjects: Chemistry > Inorganic chemistry
Divisions: Department of Chemistry
Depositing User: Team Library
Date Deposited: 18 Jan 2016 06:56
Last Modified: 07 Sep 2017 10:49
URI: http://raiith.iith.ac.in/id/eprint/2116
Publisher URL: https://doi.org/10.1007/s12039-015-1002-z
OA policy: http://www.sherpa.ac.uk/romeo/issn/0974-3626/
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