Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex

被引：26

作者：

Bhaskar, C. ^{[1
]}

Elangovan, N. ^{[2
,3
]}

Sowrirajan, S. ^{[4
]}

Chandrasekar, S. ^{[5
]}

Abu Ali, Ola A. ^{[6
]}

Mahmoud, Samy F. ^{[7
]}

Thomas, Renjith ^{[2
]}

机构：

[1] Anna Univ, VSB Engn Coll, Dept Chem, Karur 639111, Tamil Nadu, India

[2] Mahatma Gandhi Univ, St Berchmans Coll Autonomous, Dept Chem, Changanassery 686101, Kerala, India

[3] Chandigarh Univ, Univ Ctr Res & Dev, Dept Mech Engn, Mohali, Punjab, India

[4] King Fahd Univ Petr & Minerals, Dept Chem, Dhahran 31261, Saudi Arabia

[5] Bharathidasan Univ, Arignar Anna Govt Arts Coll, Dept Chem, Musiri, Tiruchirappalli 621211, Tamil Nadu, India

[6] Taif Univ, Coll Sci, Dept Chem, POB 11099, Taif 21944, Saudi Arabia

[7] Taif Univ, Coll Sci, Dept Biotechnol, POB 11099, Taif 21944, Saudi Arabia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2022年 / 1267卷

关键词：

Tin complex synthesis; Single crystal; Density functional theory; Cytotoxicity; Hydrogen bonding; ELECTRON LOCALIZATION FUNCTION; RAY CRYSTAL-STRUCTURE; HOMO-LUMO ANALYSIS; X-RAY; ORGANOTIN COMPOUNDS; MOLECULAR DOCKING; FT-IR; NMR; DERIVATIVES; NBO;

D O I：

10.1016/j.molstruc.2022.133542

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex ( B2) was synthesized and characterized by FT-IR, FT-Raman, H-1 NMR, C-13 NMR, 119Sn NMR, and XRD. The above-synthesized complex compared with the theoretical method using Gaussian software at DFT/B3LYP/Lanl2DZ. Wavefunctiona based properties like ELF and LOL helped to identify the electron distributions. X-ray study confirmed that compound crystallizes in monoclinic space group with P2(1)/c,. The crystal structure of the B2 shows a regular octahedral geometry.Hydrogen bond formation is observed through chlorine anion via C -H-Cl. The complex showed excellent cytotoxicity and anticancer activity against Vero and Hela cell line when compared to the standard drug cisplatin.(c) 2022 Elsevier B.V. All rights reserved.

引用

页数：11

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