Vibrational study of dialkylphosphonates: di-n-propyl- and di-i-propylphosphonates by semiempirical and ab initio methods

Lanthanide complexes with diethyl(2-oxopropyl) phosphonate and diethyl(2-oxo-2-phenylethyl) phosphonate ligands

“…The lower ν(PO) frequencies of the complexes compared with analogous frequencies of the ligands ( ν(PO) = 53-69 cm −1 ) support the notion that coordination is via the phosphoryl oxygen atom. This is in agreement with the data for other lanthanide complexes [16,17].…”

“…16 for the 1:2 and 1:3 systems exhibited exponential decays with lifetimes of equal to 1145.5 and 1177.2 s, respectively. For the 1:4 system, the luminescence lifetime was determined to be 1205.1 s. This confirms that the ML and ML 2 complexes were formed in acetonitrile solutions.…”

Conformational and vibrational study of di‐n‐propyl and di‐i‐propylphosphonates by MM/QM method

“…However, due to the highly coupled vibrational normal modes and the vicinity of bands in the region of 1200–850 cm −1 , deviations between the calculated and the experimental wavenumbers may lead to dubious assignment. In the previous work 2, extensive experimental data were compared to arrive at satisfactory assignment. In the far infrared region, the assignments were done only through theoretical assignment since the experimental data are extremely poor.…”

“…For the lowest energy structure, the harmonic vibrational wavenumbers are calculated using the same methodology. Computed parameters are compared to experimental ones as well as to data obtained by other methods (RHF/6‐31G* and AM1) 2.…”

Spectroscopic studies of lanthanide(III) ion complexes with diethyl(phthalimidomethyl) phosphonate

“…The spectra reveal significantly lower frequencies of n(PO) for the complex as compared to the data for the free ligand (Dn(PO)-55 cm À 1 ), suggesting the ligand coordination to Ln(III) ion via phosphoryl oxygen atom, as shown in Fig. 10 and Table 4 [28,29]. The IR spectrum of the complex containing NO À 3 ions shows significant absorption bands attributed to NO À 3 .…”