Vibrational spectra and potential energy distributions of normal modes of 3-nitroso- and 3-nitrocyclopropenes

2002 ◽  
Vol 588 (1-3) ◽  
pp. 17-27 ◽  
Author(s):  
Hassan M. Badawi ◽  
Ali A. El-Rayyes
Keyword(s):  
Potential Energy ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Energy Distributions

Phosphine–borane derivatives. 10. Vibrational spectra of the dimethylphosphine adducts of boron trihalides

1981 ◽  
Vol 59 (19) ◽  
pp. 2898-2908 ◽  
Author(s):  
John E. Drake ◽  
J. Lawrence Hencher ◽  
Layla N. Khasrou
Keyword(s):  
Structural Change ◽  
Solid State ◽  
Potential Energy ◽  
Force Field ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
Field Model ◽  
Adduct Formation ◽  
Molecular Symmetry ◽  
Energy Distributions

The infrared (200–4000 cm−1) and Raman (0–3100 cm−1) spectra of (CH3)2PHBX3, (CH3)2PDBX3, and (CD3)2PHBX3, where X = Cl, Br, I, have been recorded in solid state and in solutions at room temperature. The fundamentals have been assigned on the basis of Cs molecular symmetry. A modified Urey–Bradley force field model has been used in calculating the frequencies and potential energy distributions as well as the force constants. The (P—B) force constant was found to be consistent with the structural change upon adduct formation.

(MeSn)4Se6, Geometrie und Schwingungsformen eines Adamantan-Gerüstes aus Zinn-Selen-Bindungen / (MeSn)4Se6, Geometry and Vibrational Modes of an Adamantane Framework Formed by Tin-Selenium Bonds

1981 ◽  
Vol 36 (11) ◽  
pp. 1361-1367 ◽  
Author(s):  
Axel Blecher ◽  
Martin Dräger ◽  
Bernd Mathiasch
Keyword(s):  
Aqueous Solution ◽  
Potential Energy ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Close Packing ◽  
Force Constants ◽  
Hexagonal Close Packing ◽  
Vibrational Modes ◽  
X Ray ◽  
Atomic Coordinates

Abstract The title compound has been synthesized by reaction of MeSnBr3 and NaHSe in aqueous solution. The X-ray structure determination showed adamantane-like molecules (Sn-Se 253(1), Sn-C 215(1) pm) arranged in a quasi hexagonal-close packing. The atomic coordinates were used for an analysis of the vibrational spectra, yielding information on the distribution of the potential energy for the normal modes in terms of internal co-ordinates and a set of force constants. The valence force constants f(Sn-Se) 154(6), f(Sn-C) 216(2) N/m) are compared with those in related monocyclic molecules.

Vibrational Spectra of bis-(Maleonitrile Dithiolato)Ni(ii) Anion

1971 ◽  
Vol 25 (2) ◽  
pp. 207-211 ◽  
Author(s):  
Lakshmi P. Bhaskara Rao ◽  
Umesh Agarwala
Keyword(s):  
Double Bond ◽  
Potential Energy ◽  
Energy Distribution ◽  
Vibrational Spectra ◽  
Normal Modes ◽  
Potential Energy Distribution ◽  
Normal Coordinate ◽  
Double Bond Character ◽  
Plane Normal ◽  
Bond Character

The in-plane normal modes of bis-(maleonitriledithiolato)Ni(ii) anion have been assigned on the basis of the normal coordinate analysis. The potential energy distribution among various internal coordinates indicates a large amount of vibrational mixing. The value of K (C–S) suggests a considerable amount of double bond character.

Sign in / Sign up

Export Citation Format

Share Document