e.g. Filippa Pettersson or Cancer Res. 75(6) , 1102-12, (2015) or 10.1002/anie.201600521
Electronic Properties of 3, 3′??Dimethyl??5, 5′??bis (1, 2, 4??triazine): Towards Design of Supramolecular Arrangements of N??Heterocyclic CuI Complexes
…, F Bonhomme, A Marsura, NE Ghermani
Index: Courcot, Blandine; Tran, Diem Ngan; Fraisse, Bernard; Bonhomme, Francois; Marsura, Alain; Ghermani, Nour Eddine Chemistry - A European Journal, 2007 , vol. 13, # 12 p. 3414 - 3423
Abstract A new efficient and safe synthesis of 3, 3′-dimethyl-5, 5′-bis-(1, 2, 4-triazine) is presented. The electron-density distribution and electrostatic properties (charge, electrostatic potential) of this molecule were analyzed. These properties were derived from a high-resolution single-crystal X-ray diffraction experiment at 100 K and compared to the results obtained from ab initio DFT quantum-mechanical calculations. Comparisons of its ...
