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Unusual Geometry of a Sterically Congested Analogue of (CH)

✍ Scribed by Prof. Dr. Günther Maier; Dipl.-Chem. Harald Rang; Dr. Hans-Otto Kalinowski


Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
401 KB
Volume
28
Category
Article
ISSN
0044-8249

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A calculation on the geometry of CH+4
✍ F.A. Grimm; J. Godoy 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 242 KB

Received 9 June i9'iO c;v The geometry ofOCH+ as determined by open shell CNDO/2 calculations has Da symmetry with a CH bond length of 1.13 A an $ HCH angles of 94.8 and 146.4 degrees. The distortion energy ts 0.075 au (2.04 ev). A barrier to inversion through the planar D& configuration wan found t