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Crystal structure, Hirshfeld surface analysis, and computational study of tin (IV) complex: Insights from spectroscopic, an ... 1 1 Introduction 1 2 Experimental 2 2.1 Materials and instrumentation 2 2.2 Synthesis of di(p-substituted benzyl)tin bromide 2 2.3 Synthesis of the di(p-methyl benzyl) (dibromo) (4,7-diphenyl-1,10-phenanthroline) tin (IV) complex (B1) 2 2.4 Computational methods 2 3 Results and discussion 2 3.1 Crystal structure analysis 2 3.2 Computational 2 3.3 Hydrogen bonding 2 3.4 Hirshfeld analysis 4 3.5 Vibrational analysis 4 3.6 Spectroscopic data (1HNMR, 13CNMR, & 119SnNMR) 4 3.7 Frontier molecular orbital analysis 5 3.8 Molecular electric potential 5 3.9 Mulliken population study 7 3.10 Topology analysis 7 3.11 RDG (non-covalent interaction) 7 3.12 Anticancer and cytotoxicity activity 7 4 Conclusion 10 CRediT authorship contribution statement 10 Declaration of Competing Interest 10 Data availability 10 Acknowledgment 10 Appendix A Supplementary data 10 References 10
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- Language
- EN
- Category
- nonfiction
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