The inclusion of 3d orbitals in hybrid obitals. A valence-bond study on NH3

✍ Scribed by Robert G.A.R. Maclagan

• Publisher: Elsevier Science
• Year: 1982
• Tongue: English
• Weight: 266 KB
• Volume: 90
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(82)83248-x

✦ Synopsis

V~en~bond ~~~10~

are reported for the ground slate of NH2 in which nnrogen 3d orbttals are used in the hybrid orbrtsls. fnfiwion of 3d orbwds raises the value for the mversion barrier above the experimental value. Tbe con~~utioR of the N+ structure IS decrased when 3d orbrwk are mcluded. 0.000 (0.000) -0.039 -0M4 -0.046 0.