Dipiperidinosquaraine (9) crystallizes in the orthorhombic system, space group Pnab, with four molecules in a cell of dimensions a = 7.1798( 9), b = 9.5362(8), and c = 18.788(2) A. The molecule is located over a center of symmetry, so the four-membered ring (C -C = 1.456(1) A av) is exactly planar;
Molecular and electronic structure of bromamines
β Scribed by Igor Novak
- Publisher
- John Wiley and Sons
- Year
- 1994
- Tongue
- English
- Weight
- 281 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1042-7163
No coin nor oath required. For personal study only.
β¦ Synopsis
Molecular and electronic structures and properties of NH,Br, NHBr,, and NBr, have been studied using ab initio calculations a1 the Hartre-Fock (HF) and MP2 levels with the aim o f complementing very scarce experimental information available for the title molecules. The properties and molecular structures of bromamines are discussed in relationship to other haloamines (fluor-tznd chloramines).
π SIMILAR VOLUMES
Molecular and electronic structures of MX, ( M = Se, Te ; X = F , Cl) were studied by the ab initio method with extended basis sets. The study is aimed at sup- plementing cery scarce experimental information about these molecules. The results indicate that all molecules favour distorted disphenoidal
Molecular and electronic structures of a select group of molecules and cations, including benzeneselenenyl chloride, benzeneselenenyl bromide, and benzeneselenol have been studied using ab initio calculations at the Hartree-Fock and MP2 levels of theory. Very few experimental data are available for
## Abstract AM1 calculations show that taspine has the three energyβminima along the rotationβlike nuclear displacement of the dimethylaminoethyl group. They correspond to two enantiomeric structures and a __Cs__ structure, which have nearly equal energies. The energy barrier between the enantiomer