Vibrational dynamics of the organometallic compound triarylorganoantimony (V) SbPh3[O2CC(OH)Ph2]2

Abstract

A complete normal coordinate analysis was performed for five-coordinate non-rigid triarylantimony diester SbPh3(O2CR)2, known to be a bioactive molecule, using Wilson G-F matrix method and Urey Bradley force field. The study of vibrational dynamics was performed using the concept of group frequencies and band intensities.

Vibrational and Quantum Chemical Study of Triphenylantimony(V)‐o‐salicylate

“…The physical effects represented by these parameters are Vander Waals and electrostatic forces. Identification with the experimental data has been made on the basis of potential energy distribution, line profile, line intensities and the presence/absence of a given mode in similar molecules [20][21][22][23] . Table 2(a).…”

Normal coordinate analysis and quantum chemical study of tris(p-fluorophenyl)antimony di(N-phenylglycinate) [(p-FC6H4)3Sb(O2CCH2NHC6H5)2]

“…We have used UreyBradley force field [9] in our calculations, which takes into account both bonded and non-bonded interactions and internal tensions. For the assignments, the force constants were initially transferred from our earlier work and literature [12][13][14][15][16][17] and were further refined by least square fit method to provide best match with the observed FT-IR spectra. (All the force constants can be made available on request from the corresponding author.)…”

“…In the assignment of the normal modes, as given in table 1, only the dominant potential energy distributions (PEDs) are considered. Identification with the experimental data has been made on the basis of potential energy distribution, line profile, line intensities and the presence/absence of a given mode in similar molecules [12,18,19].…”

An investigation on structural, vibrational and nonlinear optical behavior of 4b,9b-dihydroxy-7,8-dihydro-4bH-Indeno[1,2-b] Benzofuran-9,10(6H,9bH)-dione: A DFT study

“…Values of all bond angles are given in table S1 in SI and all are in accordance with the reported by others as well as by our previous work. [16][17][18][19][20][21] The torsional strain in five member rings R1 and R3 also arises due to the decrease in lateral distance between the bonds on two adjacent carbon atoms. The repulsive interaction between the electrons of the bonds increases which causes a decrease in bond angle.…”