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Experimental validation of bifurcated hydrogen bond of 2,5-lutidinium bromanilate and its charge density distribution
Chemical Papers ( IF 2.1 ) Pub Date : 2020-02-24 , DOI: 10.1007/s11696-020-01107-3 Niranjana Devi Rajendran , Natarajan Mookan , Israel Samuel , Sarath Babu Mookan
中文翻译:
2,5-lut酸溴化铵分叉氢键的实验验证及其电荷密度分布
更新日期:2020-02-24
Chemical Papers ( IF 2.1 ) Pub Date : 2020-02-24 , DOI: 10.1007/s11696-020-01107-3 Niranjana Devi Rajendran , Natarajan Mookan , Israel Samuel , Sarath Babu Mookan
Abstract
2,5-Lutidinium bromanilate is a molecular complex that consists of bromanilic acid and 2,5-lutidine in which hydrogen-bonding interactions occur between them, producing a charge-assisted bifurcated N–H…O hydrogen bond. Bond characteristics are determined from the experimental charge density distribution of the molecular complex using the Hansen–Coppens model. The electron density, topological properties, electrostatic potential and atomic charges of the molecule have been investigated to better understand the atomic, molecular and electronic properties in a detailed manner. The electronic nature of the significantly important charge-assisted bifurcated hydrogen bond has been analyzed with the help of topological properties.Graphic abstract
中文翻译:
2,5-lut酸溴化铵分叉氢键的实验验证及其电荷密度分布