𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Infrared Spectra and Electronic Structure Calculations for the NUN(NN) 1–5 and NU(NN) 1–6 Complexes in Solid Argon

✍ Scribed by Andrews, Lester; Wang, Xuefeng; Gong, Yu; Vlaisavljevich, Bess; Gagliardi, Laura

Book ID
127391475
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
716 KB
Volume
52
Category
Article
ISSN
0020-1669

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Uranyl bis-iminophosphorane complexes wi
Uranyl bis-iminophosphorane complexes with in- and out-of-plane equatorial coordinationElectronic supplementary information (ESI) available: Variable temperature 1H NMR spectra; Raman spectra; solid state diffuse reflectance electronic absorption spectra; luminescence spectra; interatomic distances of the optimised structures of 1* and 2* from molecular modelling calculations. See http://www.rsc.org/suppdata/dt/b3/b304602h/
✍ Sarsfield, Mark J.; Steele, Helen; Helliwell, Madeleine; Teat, Simon J. 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 235 KB
Novel supramolecular architectures in gr
Novel supramolecular architectures in group 13 perfluoroaryl complexes. Synthesis and structures of [AlMe(C6F5)(µ-Me)]2 and GaMe(C6F5)2Electronic supplementary information (ESI) available: Experimental procedures for the preparation of 1 and 2 and X-ray experimental details. See http://www.rsc.org/suppdata/cc/b2/b210024j/
✍ Hair, Gregory S.; Cowley, Alan H.; Gorden, John D.; Jones, Jamie N.; Jones, Rich 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 203 KB
Sterically crowded diphosphinomethane li
Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related speciesDedicated to Professor Roald Hoffmann on the occasion of his 65th birthday.Electronic supplementary information (ESI) available: photoelectron spectra for compounds 1–6, ORTEP diagrams for compounds 1–3 and 5–9+, calculated minimum structures (UB3LYP/6-31G**) and structural parameters for two forms of the radical cation dmpm. See http://www.rsc.org/suppdata/nj/b2/b210114a/
✍ Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, C 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 376 KB
Electrophilic and oxidative chemistry of
Electrophilic and oxidative chemistry of pyrene and its non-alternant isomers: theoretical (DFT, GIAO-NMR, NICS) study of protonation carbocations and oxidation dications from pyrene, azupyrene (dicyclopenta[ef,kl]heptalene) and dicyclohepta[ed,gh]pentaleneElectronic supplementary information (ESI) available: Table S1: Electronic energies (E), zero point energies (ZPE) and Gibbs free energies (G) obtained from DFT calculations for the studied molecules and cations at B3LYP/6-31G(d) level. Figs. S1, S8 and S10 and Tables S2?S14: Optimized structures and Cartesian coordinates for 1, 1aH+, 1bH22+, 12+, 2, 2aH+, 2aH22+, 22+, 3, 3cH+, 3eH22+ and 32+. Figs. S2, S3 and S4: Computed 13C NMR chemical shifts and NPA-derived charges for 1aH+, 122+ and 12+. Fig. S5: Experimental 13C NMR chemical shifts for 1aH+ and 12+. Figs. S6, S7, and S12: HOMO?LUMO forms in the oxidation dications. Figs. S9 and S11: Bond-lengths in X-ray derived and computed structures for 2 and 3. See http://www.rsc.org/suppdata/ob/b4/b405009f/
✍ Okazaki, Takao; Laali, Kenneth K. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 409 KB