A serendipitous isolation of cocrystallized platinum–tin complexes: synthesis, structure and theoretical exploration

Chauhan, Rohit Singh and Singh, Saurabh Kumar and Tyagi, Adish and et al, . (2020) A serendipitous isolation of cocrystallized platinum–tin complexes: synthesis, structure and theoretical exploration. New Journal of Chemistry, 44 (48). pp. 20945-20955. ISSN 1144-0546

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The reaction of [PtCl2(P-P)] (P-P = PPh3, dppp) with [R2Sn(SeC5H4N)2] (R = Me, Et) afforded an orange co-crystallized product [{Pt(κ2-SeC5H4N)(P-P)}{R10Sn5(μ-O)3Cl5}] (P-P = PPh3, dppp; R = Me, Et). The latter complexes can also be obtained by the treatment of [Pt(SeC5H4N)2(dppp)] with R2SnCl2 (R = Me, Et). These co-crystallized complexes displayed a completely separated core of the platinum selenolate complex along with an organo-oxotin cage compound in the same lattice. These complexes were characterized by elemental analyses, NMR (1H, 31P, 77Se, 119Sn) spectroscopy and scalar relativistic density functional theory (DFT) calculations. The crystal structures of compounds [{Pt(κ2-SeC5H4N)(dppp)}{Me10Sn5(μ-O)3(μ-Cl)Cl4}]HCONMe2 (2a) and [{Pt(Cl)(SeC5H4N)(P-P)}{Et10Sn5(μ-O)3Cl5}] (2b) were established by single crystal X-ray diffraction analyses. Natural bond orbital (NBO) and energy decomposition analysis (EDA) were carried out in detail to establish the nature of bonding in both cocrystals. Their molecular structure contains nearly the same platinum fragment; however, the only variation that can be observed with the organo-oxotin cage fragment is that the methyl-substituted oxotin compound 2a is Cl-capped and the ethyl substituted one 2b is an O-capped type cluster. This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

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IITH Creators:
IITH CreatorsORCiD
Singh, Saurabh Kumarhttps://orcid.org/0000-0001-9488-8036
Item Type: Article
Additional Information: One of the authors RSC acknowledges the financial support from the University of Mumbai through the minor research grant APD/237/601/2019. The author is also grateful to his mentor Dr V. K. Jain for the encouragement and scientific discussion to shape this work. SKS acknowledges the Department of Science and Technology for the Start-up Research Grant (SRG/2020/001323) and IIT Hyderabad for generous funding. The support and resources provided by PARAM Shivay Facility under the National Supercomputing Mission, Government of India at the Indian Institute of Technology, Varanasi, are gratefully acknowledged.
Uncontrolled Keywords: Cage compounds; Co-crystals; Energy decomposition analysis; Latter complexes; Natural bond orbital; Platinum-tin; Relativistic density functional theory; Single crystal X-ray diffraction analysis
Subjects: Chemistry
Divisions: Department of Chemistry
Depositing User: . LibTrainee 2021
Date Deposited: 22 Oct 2022 11:20
Last Modified: 22 Oct 2022 11:20
URI: http://raiith.iith.ac.in/id/eprint/11033
Publisher URL: http://doi.org/10.1039/d0nj04639f
OA policy: https://v2.sherpa.ac.uk/id/publication/18027
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