Spectroscopic and computational studies on a new Pd(II)-bis(pyrazol-1-yl)methane aqua-complex☆
Graphical abstract
The new Pd(II) aqua-complex [Pd(OAc)(H2O)(BPM)]+ {BPM = bis(pyrazol-1-yl)methane, OAc = acetate} has been synthesized and isolated as perchlorate or triflate salt. NMR and DFT studies have highlighted the ability of the coordinated water to give inter- and intra-molecular hydrogen bonds.
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Acknowledgments
We wish to thank the Italian Minister of University and Research for financial support of this work and PRIN (Programmi di Ricerca Scientifica di Rilevante Interesse Nazionale) WXHEM8_002 2007. CINECA (Centro Italiano di Supercalcolo, Bologna, Italy) is gratefully acknowledged for hardware and software support.
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In memory of Prof. Raffaello Romeo.
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