DeStefano Matthew R, Geiger David K
Department of Chemistry, SUNY-College at Geneseo, Geneseo, NY 14454, USA.
Acta Crystallogr C Struct Chem. 2017 Sep 1;73(Pt 9):697-702. doi: 10.1107/S2053229617011573. Epub 2017 Aug 9.
The photophysical properties of transition metal complexes of the 5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-benzimidazole ligand are of interest. Dichlorido[5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-benzimidazole-κN,N]platinum(II), [PtCl(CHN)], is luminescent in the solid state at room temperature. The compound displays a distorted square-planar coordination geometry. The Pt-N(imidazole) bond length is shorter than the Pt-N(pyridine) bond length. The extended structure reveals that symmetry-related molecules display weak C-H...N, C-H...Cl, and C-H...Pt hydrogen-bonding interactions that are clearly discernable in the Hirshfeld surface and fingerprint plots. The intermolecular C-H...Pt and C-H...N interactions have been explored using density functional theory. The result of an analysis of the distance dependence of C-H...Pt yields a value consistent with that observed in the solid-state structure. The energy of interaction for the C-H...Pt interaction is found to be about -11 kJ mol.
5,6-二甲基-2-(吡啶-2-基)-1-(吡啶-2-基甲基)-1H-苯并咪唑配体的过渡金属配合物的光物理性质备受关注。二氯[5,6-二甲基-2-(吡啶-2-基)-1-(吡啶-2-基甲基)-1H-苯并咪唑-κN,N]铂(II)，[PtCl(CHN)]，在室温下的固态中会发光。该化合物呈现出扭曲的平面正方形配位几何结构。Pt-N(咪唑)键长比Pt-N(吡啶)键长短。扩展结构表明，对称相关分子显示出弱的C-H...N、C-H...Cl和C-H...Pt氢键相互作用，这些在Hirshfeld表面和指纹图谱中清晰可辨。已使用密度泛函理论对分子间C-H...Pt和C-H...N相互作用进行了探究。对C-H...Pt距离依赖性的分析结果得出的值与在固态结构中观察到的值一致。发现C-H...Pt相互作用的相互作用能约为-11 kJ mol。
