Intrinsic dinitrogen activation at bare metal atoms

HJ Himmel, M Reiher - Angewandte Chemie International …, 2006 - Wiley Online Library
There is ongoing interest in metal complexes which bind dinitrogen and facilitate either its
reduction or oxidation under mild conditions. In nature, the enzyme nitrogenase catalyzes …

Elucidation of the role of electric field on low temperature ammonia synthesis using isotopes

K Murakami, R Manabe, H Nakatsubo, T Yabe, S Ogo… - Catalysis Today, 2018 - Elsevier
We have found that an electric field brings high yield on low temperature catalytic ammonia
synthesis over Cs/Ru/SrZrO 3 catalyst. The role of the electric field is investigated based on …

Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and …

X Huang, EF Valeev, TJ Lee - The Journal of chemical physics, 2010 - pubs.aip.org
One-particle basis set extrapolation is compared with one of the new R12 methods for
computing highly accurate quartic force fields (QFFs) and spectroscopic data, including …

Size Effects in Cluster Infrared Spectra: the. nu. 1 Band of Arn-HCO+ (n= 1-13)

SA Nizkorodov, O Dopfer, T Ruchti… - The Journal of …, 1995 - ACS Publications
D"=(7±4) x 10™ 8 cm" 1, B'= 0.06829±0.000 08 cm" 1, D'=(17±4) x 10™ 8 cm" 1. The
rotational line widths indicate a lifetime of more than 250 ps for the optically prepared state …

Intrinsische Stickstoff‐Aktivierung an “nackten” Metallatomen

HJ Himmel, M Reiher - Angewandte Chemie, 2006 - Wiley Online Library
Abstract Das Interesse an Metallkomplexen, die molekularen Stickstoff binden und seine
Reduktion oder Oxidation unter milden Bedingungen bewirken, ist weiterhin ungebrochen …

Diode laser spectroscopy of gas phase C5: The ν3 fundamental and associated hot bands

N Moazzen‐Ahmadi, ARW McKellar… - The Journal of chemical …, 1989 - pubs.aip.org
The spectrum of the linear carbon chain molecule C5 in the gas phase has been studied
around 2170 cm− 1, the region of the highest asymmetric stretching vibration ν3. The results …

ALMA INVESTIGATION OF VIBRATIONALLY EXCITED HCN/HCO+/HNC EMISSION LINES IN THE AGN-HOSTING ULTRALUMINOUS INFRARED GALAXY IRAS …

M Imanishi, K Nakanishi, T Izumi - The Astrophysical Journal, 2016 - iopscience.iop.org
We present the results of ALMA Cycle 2 observations of the ultraluminous infrared galaxy
IRAS 20551− 4250 at HCN/HCO+/HNC J= 3–2 lines at both vibrational ground (v= 0) and …

Theoretical study of the rovibrational energy spectrum and the numbers and densities of bound vibrational states for the system

M Mladenović, S Schmatz - The Journal of chemical physics, 1998 - pubs.aip.org
Large-scale calculations of accurate energy levels for the system HCO+/HOC+ in its
electronic ground state are reported. The rovibrational levels are calculated for total angular …

Millimeter and submillimeter wave spectroscopy of HNC and DNC in the vibrationally excited states

T Okabayashi, M Tanimoto - The Journal of chemical physics, 1993 - pubs.aip.org
The rotational transitions of hydrogen isocyanide (HNC) and deuterium isocyanide (DNC) in
the vibrationally excited states as well as in the ground states were observed in the …

Photoionization mass spectrometric study of N2H2 and N2H3: N–H, N= N bond energies and proton affinity of N2

B Ruscic, J Berkowitz - The Journal of chemical physics, 1991 - pubs.aip.org
The photoion yield curves of NzH2+, NzH+, and H/from NzHz have been studied by
photoionization mass spectrometry. The adiabatic ionization potential of NzHz determined …