✦ LIBER ✦

Observed and Calculated Electron-Density Distribution in the Bonds of a Rectangular Cyclobutadiene

✍ Scribed by Doz. Dr. Hermann Irngartinger; Dr. Hans-Lothar Hase; Dipl.-Chem. Karl-Wilhelm Schulte; Prof. Dr. Armin Schweig

Publisher: John Wiley and Sons
Year: 1977
Tongue: English
Weight: 267 KB
Volume: 16
Category: Article
ISSN: 0044-8249
DOI: 10.1002/anie.197701871

No coin nor oath required. For personal study only.

✦ Synopsis

The difference electron density of a molecule is defined as the difference between the total molecular electron density and the superposed atomic densities of the atoms of which the model considered is composed.

[3] The experimental difference densities have been averaged over the two independent molecules (space group P i; Z = 2 ; molecular symmetry C, (0) and over chemically equivalent regions in accord with Dlh symmetry.

📜 SIMILAR VOLUMES

Electron-Density Distribution in the Bon

Electron-Density Distribution in the Bonds of a Dewar Benzene Derivative

✍ Irngartinger, Hermann ;Deuter, Juurgen 📂 Article 📅 1990 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 305 KB

Determination of the Electron Density Di

Determination of the Electron Density Distribution in the Bonds of a Fullerene Derivative by High-Resolution X-Ray Structure Analysis

✍ Hermann Irngartinger; Anton Weber; Thomas Oeser 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 148 KB 👁 2 views

Bent bonds in the strained fullerene system, restricted to the [5,6] bonds, were detected by high-resolution X-ray structure analysis of the 1,2-dihydro[60]fullerene derivative 1. In addition the maxima of electron densities are higher in the [6,6] bonds than in the [5,6] bonds-an important finding

Electron Density Distribution in the Bon

Electron Density Distribution in the Bonds of the Bridged Bicyclo[1.1.0]butane System 1,5-Dimethyltricyclo[2.1.0.02,5]pentan-3-one

✍ Prof. Dr. Hermann Irgnartinger; Annette Goldmann 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 241 KB 👁 2 views

Chemical Bonds without Bonding Electron

Chemical Bonds without Bonding Electron Density — Does the Difference Electron-Density Analysis Suffice for a Description of the Chemical Bond?

✍ Priv.-Doz. Dr. Dieter Cremer; Dr. Elfi Kraka 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB 👁 2 views

Determination of the Electron Distributi

Determination of the Electron Distribution in Solids by X-Rays and its Relation to Chemical Bonding

✍ H. Witte 📂 Article 📅 1962 🏛 John Wiley and Sons 🌐 English ⚖ 116 KB 👁 2 views

Electronic Properties of the Axial Co−C

Electronic Properties of the Axial Co−C and Co−S Bonds in B12 Systems − A Density Functional Study

✍ Lucio Randaccio; Silvano Geremia; Mauro Stener; Daniele Toffoli; Ennio Zangrando 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB 👁 2 views

The numerous accurate structural data of cobalamins now available allows us to optimize the geometry of these systems, based on a simplified model by using density functional theory (DFT) calculations. This approach, which reproduces the trend of the experimental distances derived from EXAFS and X-r