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Rotational structure of singlet-triplet transitions in orthorhombic molecules

✍ Scribed by C. di Lauro

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
938 KB
Volume
35
Category
Article
ISSN
0022-2852

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Computational analyses of singlet–single
Computational analyses of singlet–singlet and singlet–triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes
✍ Zexing Cao; Qianer Zhang 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB

## Abstract Density functional theory and CASSCF calculations have been used to determine equilibrium geometries and vibrational frequencies of metal‐capped one‐dimensional π‐conjugated complexes (H~3~P)Au(CC)~n~(Ph) (__n__ = 1–6), (H~3~P)Au(CCC~6~H~4~)(CCPh), and H~3~PAu(CCC~6~H~4~)CCAuPH~3