Reactivity of titanium dimer and molecular nitrogen in rare gas matrices. Vibrational and electronic spectra and structure of Ti2N2

Physical Chemistry Chemical Physics : PCCP
Hans-Jörg HimmelLaurent Manceron

Abstract

The reactivity of diatomic titanium with molecular nitrogen has been investigated in rare gas matrices. The formation of Ti2N2 from the condensation of effusive beams of Ti and N2 in neon and argon matrices is observed after sample deposition. Our results also show that the in situ formation results from the spontaneous reaction at 9 K of ground state Ti2 with N2. Several low-lying excited states of Ti2N2 are also observed between 0.78 and 1.1 eV above the ground state, leading to a complex sequence of interacting vibronic transitions, merging into a broad continuum above 1.25 eV. Observations of Ti2(14)N2, Ti2(15)N2 and Ti2(14)N(15)N isotopic data enable the determination of all fundamental vibrations in the ground electronic state. Semi-empirical harmonic potential calculations lead to estimates of 3.22 N cm(-1) for the Ti-N bond force constant and 90 +/- 5 degrees for the bond angles. Comparisons with TiN diatomic data suggest a near square-planar structure with 175 +/- 3 pm TiN bond distance. Quantum chemical calculations at various levels indicate a 1A(g) ground state with a Ti-N distance close to 180 pm and 89 degrees for the NTiN bond angle, and give fundamental frequencies in excellent agreement with the experimentally ...Continue Reading

Citations

Feb 20, 2018·Chemistry : a European Journal·Olaf Hübner, Hans-Jörg Himmel
May 18, 2016·Physical Chemistry Chemical Physics : PCCP·Olaf Hübner, Hans-Jörg Himmel
Oct 26, 2018·Proceedings of the National Academy of Sciences of the United States of America·Caiyun GengHelmut Schwarz
Mar 24, 2009·Physical Chemistry Chemical Physics : PCCP·Olaf Hübner, Hans-Jörg Himmel
Apr 14, 2007·Physical Chemistry Chemical Physics : PCCP·Olaf HübnerWim Klopper
Oct 23, 2019·Chemistry : a European Journal·Xin ChengSheng-Gui He
Jun 26, 2007·The Journal of Physical Chemistry. a·Yu GongMingfei Zhou
May 12, 2021·Chemical Reviews·Sebastian J K ForrestSven Schneider
Jun 5, 2021·The Journal of Physical Chemistry. a·Masahiko IchihashiHideho Odaka
Oct 14, 2010·The Journal of Physical Chemistry. a·Sidi Ould SouviLaurent Manceron
Feb 4, 2014·Journal of the American Chemical Society·Navaratnarajah KuganathanPeter V Sushko
Jan 5, 2014·The Journal of Physical Chemistry. a·A MarzoukM E Alikhani

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.