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In this paper, the factors determining the spectroscopic characteristics of v-B(OH) band including coupling effect, hydrogen bonding effect, and direct contact effect in Li[B(OH)] solutions are investigated by using ab initio calculation. The coupling effect between the liberations of water and [B(OH)] has a larger effect on v-B(OH) in solvent-shared ion pair (SIP) and monodentate contact ion pair (MCIP), but the smaller effect in bidentate contact ion pair (BCIP). Water molecule tends to hydrate to the middle position between the first sphere of B(OH) and outer-sphere of [Li(HO)] and has a different effect on v-B(OH) in ion pairs. The direct contact effect and polarization effect lead to 19.7 cm red shift of v-B(OH) in MCIP, and 0.4 cm blue shift in BCIP. The association process in Li[B(OH)] solution was also introduced by using Raman spectral evolution of v -B(OH) in the dehydration process.
This article was published in the following journal.
Name: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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Factors that can cause or prevent the outcome of interest, are not intermediate variables, and are not associated with the factor(s) under investigation. They give rise to situations in which the effects of two processes are not separated, or the contribution of causal factors cannot be separated, or the measure of the effect of exposure or risk is distorted because of its association with other factors influencing the outcome of the study.
Interactional process combining investigation, discussion, and agreement by a number of people in the preparation and carrying out of a program to ameliorate conditions of need or social pathology in the community. It usually involves the action of a formal political, legal, or recognized voluntary body.