Experimental observation of TiN12 + cluster and theoretical investigation of its stable and metastable isomers† †Electronic supplementary information (ESI) available: NBO data for TiN2, TiN2 +, TiN12 and TiN12 +. See DOI: 10.1039/c5sc01103e Click here for additional data file.

Experimental observation of TiN12+ cluster and theoretical investigation of its stable and metastable isomers.

TiN n+ clusters were generated by laser ablation and analyzed experimentally by mass spectrometry. The results showed that the mass peak of the TiN12+ cluster is dominant in the spectrum. The TiN12+ cluster was further investigated by photodissociation experiments with 266, 532 and 1064 nm photons. Density functional calculations were conducted to investigate stable structures of TiN12+ and the...

Transformable H-bonds and conformation in compressed glucose† †Electronic supplementary information (ESI) available: Detailed experimental data; detailed structural data. CCDC 1033994–1034008. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03588g Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file.

Rhodium-catalyzed C–H functionalization-based approach to eight-membered lactams† †Electronic supplementary information (ESI) available: Data for new compounds and experimental procedures and theoretical studies on mechanisms. CCDC 979559 and 990983. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc00092k Click here for additional data file. Click here for additional data file.

Laboratory of Molecular Recognition an Zhejiang University, Hangzhou 310027, Zh ac.cn State Key Laboratory of Organometallic C Chemistry, Chinese Academy of Sciences, [email protected] Shanghai Key Laboratory of Magnetic Reson Normal University, Shanghai 200062, P. R. † Electronic supplementary information ( and experimental procedures and theor 979559 and 990983. For ESI and crystallo format s...

A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties† †Electronic supplementary information (ESI) available: Experimental and theoretical procedures and figures, crystallographic details, and theoretical structures. CCDC 1497501–1497508. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03758e Click here for additional data file. Click here for additional data file.

Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study† †Electronic supplementary information (ESI) available: Experimental details, characterization of cocrystals, and computational details and results. CCDC 1454754 and 1454755. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc04354b Click here for additional data file. Click here for additional data file.