14067-04-0

Basic information

• Product Name: TITANIUMION
• Synonyms: Titanium
• CAS NO: 14067-04-0
• Molecular Formula: Ti
• Molecular Weight: 47.867
• EINECS: 231-142-3
• Mol File: 14067-04-0.mol

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• CAS DataBase Reference: TITANIUMION(CAS DataBase Reference)
• NIST Chemistry Reference: TITANIUMION(14067-04-0)
• EPA Substance Registry System: TITANIUMION(14067-04-0)

Safety Data

• Hazardous Substances Data: 14067-04-0(Hazardous Substances Data)

Usage

InChI:InChI=1/Ti

Upstream product

• 7440-32-6 titanium 
• 15969-58-1 titanium(II) 
• 12039-83-7 titanium disilicide 

Relevant articles and documents

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

TiNn+ 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 corresponding neutral cluster, TiN12. The theoretical calculations found that the most stable structure of TiN12+ is Ti(N2)6+ with Oh symmetry. The calculated binding energy is in good agreement with that obtained from the photodissociation experiments. The most stable structure of neutral TiN12 is Ti(N2)6 with D3d symmetry. The Ti-N bond strengths are greater than 0.94 eV in both Ti(N2)6+ and its neutral counterpart. The interaction between Ti and N2 weakens the N-N bond significantly. For neutral TiN12, the Ti(N3)4 azide, the N5TiN7 sandwich structure and the N6TiN6 structure are much higher in energy than the Ti(N2)6 complex. The DFT calculations predicted that the decomposition of Ti(N3)4, N5TiN7, and N6TiN6 into a Ti atom and six N2 molecules can release energies of about 139, 857, and 978 kJ mol-1 respectively.

Transition-Metal Cation Chemistry in 1 Torr of He: M+ + C2H6 Reaction Rates

We have used laser vaporization of solid metal targets to create first transition series gas-phase metal cations M+ in a fast flow reactor with 1 Torr of He buffer gas.In contrast with single-collision results, all ten first transition series M+ ions, Sc+ through Zn+, react with C2H6 in our multicollision experiment.The major primary product is usually the adduct ion MC2H6+ arising from third-body collisional stabilization of long-lived intermediates.The primary reaction rates vary a factor of 250 across the series.M+ ions having ground-state or low-energy 3dn electron configurations react the fastest with alkanes in 1 Torr of He.