The theoretical hydrogen-bond parameters for the target molecules (1) and (2) in clusters C1 and C2 are presented in Table 4 ▶.
No restraints were placed on the bond parameters for these atoms.
Combining the microstructure of bonding interface with shear strength of different joints, the diffusion bonding parameter for present alloy was: 970 °C/10 MPa/2 h.
Bond valence parameters for the C−O bonds were chosen to fit the simulation with no hydrogen bond present on the assumption, which hardly seems justified, that each C−O bond must have a valence of 1.0 vu.
In their study of the stability of LnOCl structures, Hölsa et al. (82) chose bond valence parameters for the Ln−O bonds by holding R0 fixed at the value of 2.172 Å, given for La−O bonds by Brese and O'Keeffe, 74) and refining b to 0.33 Å, which value they subsequently assumed would apply to all the other lanthanides.
In a series of three papers, Trzesowska et al. report a systematic evaluation of the bond valence parameters for the rare earth cations bonded to the anions O2−, C4−, N3−, S2−, and Cl− using structures taken from the Cambridge Structural Database.
Brown's latest list of published bond-valence parameters (Brown, 2013 ▸) contains 1749 sets of bond-valence parameters for the equation of Brown & Altermatt (1985 ▸), for 1350 unique ion pairs, and counts 340 sets of bond-valence parameters for 194 cations bonded to oxygen.
Here, we explore different options for fixing one of the bond-valence parameters for the 45 ions with only one coordination number, using the trends in the bond-valence parameters described above.
The model can be used to predict the thermocompression bond quality for given bonding parameters and process optimization for reliable bonds, thus assisting in the adoption of the Cu thermocompression bond process in three-dimensional integrated circuit applications.
García-Rodriguez et al. (66) have determined bond valence parameters for bonds between the ammonium ion and O2−, F− and Cl−, noting that NH4+ often behaves like an alkali metal.
