On the Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes: A Computational Study of Y···HCl Dimers ... and second derivatives of the interaction energy with respect to displacement of the H−Cl bond length from its equilibrium value in the...
This behavior can be used to deduce the equilibrium bond length of the molecule in the Born-Oppenheimer approximation. Applications to the precise experimental data for CO, HCl, and LiCl are described, but only in the case of CO is there a definite indication that the two coefficients in the...
Selected bond length (Å) and angles (deg): Fe1-O1: 1.901(9); Fe1-O2: 2.057(9); Fe1-O4: 1.978(9); Fe1-O5: 2.100(9); Fe1-N10: 2.14(1); Fe1-N5: 2.14(1); O1-Fe1-O4: 98.9(4); O4-Fe1-O2: 87.1(4); O1-Fe1-O5: 91.9(4); O2-Fe1-O5: 84.5(4); O1-Fe1-O2: ...
HCl (0.1 N), and NaOH (0.1 N) solutions were prepared and utilized to adjust the pH of the solution. 2.2. Preparation of Hexavalent Chromium Solution Potassium dichromate (Cr(VI), ≥99%) solution was prepared at 1000 mg/L in deionized water and used to prepare a concentration range of ...
The C4-N9 bond length was 1.3366 (15) Å. Dihedral angles of the triazole fragment with mean planes of bicycle and adjacent phenyl ring were 4.38(6)° and 11.16(7)°, respectively. The slope of the mean plane of the second phenyl fragment to the plane of the bicycle was 75.71(5)°...
polymers Article A Versatile Equilibrium Method for the Synthesis of High-Strength, Ladder-like Polyphenylsilsesquioxanes with Finely Tunable Molecular Parameters Tatyana O. Ershova 1, Anton A. Anisimov 1,* , Maxim N. Temnikov 1,* , Maxim A. Novikov 2, Mikhail I. Buzin 1, Galina G. ...