Interactivity box. Calculated properties for Si3 clusters.

ΔG298a 3D model and ν(Si-Si) animation NMR and UV-Vis Spectrae    
-3749.440365,b -13.3g
-3748.901271,c -10.0g
-3750.297509,d +21.4g
-3749.434450,b -9.6g
-3750.261410,d +44.1g
-3208.984595,b+13.7h -

aCalculated using Gaussian 09, revision C.01, at the 6-311G(d,p)/6-311G(2df)[Si only] basis set. Free Energies in Hartree (relative to reactant in kcal mol-1). Energies are hyperlinked to a OAI-PMH compliant Digital repository identifier, resolved as e.g. bωB97XD DFT level cM062X DFT level. dB3LYP DFT level. e NMR shieldings and TD-DFT spectra calculated using a 6-311+G(2df) basis on Si. fDigital repository identifier 10.6084/m9.figshare.96410 gEnergy, in kcal/mol, relative to 1 + 2. h Digital repository identifier ωB97XD/NMR, M062X/NMR, ωB97Xd/UV, M062X/UV. hRelative to 1.