Department of Chemistry, Dr. Bhupendranath Dutta Smriti Mahavidyalaya, Hatgobindapur, Burdwan 713 407, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 May;108:181-5. doi: 10.1016/j.saa.2013.01.089. Epub 2013 Feb 13.
Charge transfer complexes of electron deficient (dibenzoylmethanato)boron difluoride (DBMBF2) with polyaromatic hydrocarbons (A), as well as with highly electron rich indeno-pyridines (I) compounds in ethanol medium have been studied by electronic absorption spectroscopy. Absorption band due to a charge-transfer (CT) transitions are observed in the visible region. Utilizing the CT transition energy, the vertical electron affinities (EA(v)) of DBMBF2 in ethanol has been calculated. The value of EA(v) for DBMBF2 is found to be 2.28 eV, this is the first report of its electron affinity value. We have calculated the degrees of CT and transition dipole strengths of the DBMBF2/A and DBMBF2/I complexes. Along with both theoretically calculated and experimentally obtained vertical ionization potentials of the indeno-pyridine donors have been estimated for the first time. I show high degree of charge transfer along with high ground state stability similar to that of A. Thus indeno-pyridine (I) donors are also as good as aromatic hydrocarbons (A) for DBMBF2, having equivalent ionization potential like that of aromatic hydrocarbons.
电子缺电子(二苯甲酰甲烷基)二氟化硼(DBMBF2)与多环芳烃(A)以及高度富电子茚并吡啶(I)化合物在乙醇介质中的电荷转移配合物已通过电子吸收光谱法进行了研究。在可见区域观察到归因于电荷转移(CT)跃迁的吸收带。利用 CT 跃迁能量,计算了 DBMBF2 在乙醇中的垂直电子亲和力(EA(v))。发现 DBMBF2 的 EA(v)值为 2.28 eV,这是其电子亲和力值的首次报道。我们计算了 DBMBF2/A 和 DBMBF2/I 配合物的 CT 和跃迁偶极子强度的程度。同时,首次估算了茚并吡啶供体的理论计算和实验获得的垂直电离势。I 表现出高电荷转移程度和与 A 相似的高基态稳定性。因此,茚并吡啶(I)供体与多环芳烃(A)一样,对于 DBMBF2 具有等效的电离势,类似于多环芳烃。