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A mononuclear compound, [Co(L1)2(H2O)]·2H2O (1), where L1 = N,N-bis(3,5-dichlorosalicylidene)hydrazine, was synthesized under hydrothermal conditions. Note that L1 is derived from the hydrothermal in situ reaction of L2 (L2 = 3,5-dichlorosalicylaldehyde thiosemicarbazone). L2 is prepared by reflux using 3,5-dichlorosalicylic aldehyde and thiosemicarbazide. Although 1 is only a mononuclear structure coordinated with L1, intermolecular hydrogen-bonded interactions between two adjacent mononuclear units creates a 1D supramolecular chain. Furthermore, it self-assembles into a fascinating 2D supramolecular layer via π⋅⋅⋅π stacking between benzene rings of adjacent chains. Hirshfeld surfaces and fingerprint maps of 1 were applied to obtain data on non-covalent interactions. Antibacterial analysis shows that 1 is a potential antibacterial material and the bacteriostasis rate is higher than that of L1 (E. coli: 89.41% for 1, 29.09% for L1; MRSA: 93.17% for 1, 38.54% for L1). The solid and liquid photoluminescence properties of 1 and L1 were also investigated.

National Natural Science Foundation of China [40801195]; State Key Laboratory of Soil and Sustainable Agriculture [0812000047]

The best optimal initial reactant state and collision energy for observing the stereodynamical vector properties of the title reaction in the ground electronic state X2A' potential energy surface (PES) [Zanchet et al. 2006 J. Phys. Chem. A 110 12017] are theoretically predicted using the quasi-classical trajectory (QCT) method for the first time. The calculated results reveal that the smallest value of the rotational quantum number j, larger vibrational quantum number v, and the lower strength of collision energy should be selected for offering the most obvious picture about the stereodynamical vector properties. Polarization-dependent differential cross sections and the angular momentum alignment distribution, P(θr) and P(Φr) in the center-of-mass frame, are obtained to gain an insight into the alignment and orientation of the product molecules. The rotational angular momentum vector j' of CO is aligned to be perpendicular to reagent relative velocity k. The product polarizations align along the y axis, pointing to the positive direction of the y axis. A new method is developed to investigate massive reactions with various initial states and to further study the vector properties of the fundamental reactions in detail.