The structures, vibrational spectra, and electronic properties of copper hydroxide hydrates CuOH(HO) were investigated with quantum chemistry computations. As a follow-up to a previous analysis of CuOH(HO), this investigation examined the progression as the square-planar metal coordination environment was filled and as solvation shells expanded. Four-, five-, and six-coordinate structures were found to be low-energy isomers.
View Article and Find Full Text PDFThe copper hydroxide ion, CuOH, serves as the catalytic core in several recently developed water-splitting catalysts, and an understanding of its chemistry is critical to determining viable catalytic mechanisms. In spite of its importance, the electronic structure of this open-shell ion has remained ambiguous in the literature. In particular, computed values for both the thermodynamics of hydration and the vibrational signatures of the mono- and dihydrates have shown prohibitively large errors compared to values from recent experimental measurements.
View Article and Find Full Text PDFThe research tests the prediction of the inhibitory-interaction hypothesis that experience with a task accentuates the functional imbalance between the hemispheres. Right-handed males who were experienced readers were presented a letter string to the centre visual field for lexical decision. The string was or was not accompanied by a blinking light to the left or right visual field.
View Article and Find Full Text PDF