Microwave Spectra and Gas Phase Structural Parameters forN-Hydroxypyridine-2(1H)-thione

2011 ◽  
Vol 115 (50) ◽  
pp. 14526-14530 ◽  
Author(s):  
Adam M. Daly ◽  
Erik G. Mitchell ◽  
Daniel A. Sanchez ◽  
Eric Block ◽  
Stephen G. Kukolich
Keyword(s):  
Gas Phase ◽  
Structural Parameters ◽  
Microwave Spectra

Microwave Spectra and Gas-Phase Structural Parameters of Bis(η5-cyclopentadienyl)tungsten Dihydride

2007 ◽  
Vol 26 (8) ◽  
pp. 2070-2076 ◽  
Author(s):  
Brandon S. Tackett ◽  
Chandana Karunatilaka ◽  
Adam M. Daly ◽  
Stephen G. Kukolich
Keyword(s):  
Gas Phase ◽  
Structural Parameters ◽  
Microwave Spectra

Analysis of Decisive Structural Parameters and Acidic Property of Zeolites for Gas‐Phase Alkylation of Benzene with Ethylene

2021 ◽  
Vol 6 (42) ◽  
pp. 11779-11787
Author(s):  
Yunping Zhai ◽  
Youju Wang ◽  
Junwen Chen ◽  
Shihang Liang ◽  
Yongrui Wang ◽  
...  
Keyword(s):  
Gas Phase ◽  
Structural Parameters ◽  
Acidic Property ◽  
Alkylation Of Benzene

Cis and Gauche Propanal: Microwave Spectra and Molecular Structures

1988 ◽  
Vol 43 (3) ◽  
pp. 271-276
Author(s):  
Jeremy Randell ◽  
A. Peter Cox ◽  
Kurt W. ii Hillig ◽  
Misako Imachi ◽  
Marabeth S. LaBarge ◽  
...  
Keyword(s):  
Structural Parameters ◽  
Molecular Structures ◽  
Bond Lengths ◽  
Microwave Spectra ◽  
Isotopic Species

The microwave spectra of twelve isotopic species of cis propanal (CH3CH2CHO) and six isotopic forms of the less stable gauche rotamer have been studied to determine accurate structural parameters for both conformers. The following bond lengths (Å) and angles (°) were derived:

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. VIII. Microwave rotational spectrum of the heterodimer H—C≡C—C≡N ∙ ∙ ∙ HF

1984 ◽  
Vol 394 (1807) ◽  
pp. 387-403 ◽  
Keyword(s):  
Gas Phase ◽  
Continuous Wave ◽  
Spectroscopic Constants ◽  
State Transitions ◽  
Rotational Spectrum ◽  
Microwave Spectra ◽  
Hydrogen Bonding Interactions ◽  
Microwave Rotational Spectrum ◽  
Microwave Techniques ◽  
Pulsed Nozzle

The hydrogen bonded dimer formed between cyanoacetylene and hydrogen fluoride has been identified through its infrared and microwave spectra. Two microwave techniques, continuous wave and pulsed-nozzle Fourier-transform spectroscopy, have been combined to identify unambiguously the vibrational ground state transitions and to assign vibrational satellites. In making the assignments, much use has been made of computer simu­lation of spectra, which is described in an Appendix. Analysis of the microwave spectra led to the following spectroscopic constants and molecular parameters. HC 3 N ∙ ∙ ∙HF HC 3 N∙ ∙ ∙DF B 0 /MHz 1220.68431 (9) 1204.9051 (2) D J /kHz 0.306 (2) 0.296 (3) α β /MHz ─7.20 (2) — γ β /MHz 0.094 (3) — γ 11 /MHz ─0.030 (2) — α σ /MHz ─13.7 (2) — q β /MHz 3.12 (2) — r 0 (N ∙ ∙ ∙ F)/nm 0.2788 0.2785 X /MHz ─ 3.876 ─ 3.854 v β /cm -1 30 — v σ /cm -1 139 — k σ /(N m -1 ) 16.3 — k s /(N m -1 ) 770 — Finally, the variation of ∆ v̄ as a function of r 0 (N ∙ ∙ ∙ F) has been examined for a series of dimers RCN ∙ ∙ ∙ HF.

The microwave spectrum and structure of phosphaethene, CH2=PH

1981 ◽  
Vol 34 (3) ◽  
pp. 465 ◽  
Author(s):  
RD Brown ◽  
PD Godfrey ◽  
D McNaughton
Keyword(s):  
Dipole Moment ◽  
Structural Parameters ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Microwave Spectra ◽  
Isotopic Species

The microwave spectra of phosphaethene (methylenephosphine) and five of its isotopic species have been observed and assigned in the region 5-125 GHz. Rotational constants and moments of inertia have been determined for 12CH2PH, 13CH2PH, 12CD2PD, 12CD2PH, (Z)-12CHDPH and (E)-12CHDPH. The moments of inertia have been used to determine the following structural parameters: rP-H= 1.425�; rC-P= 1.671�; rC-H,= 1.082�; <HCP(Z) = 124.5�; <HCP(E) = 119.1�; <CPH = 95.5�. The dipole moment components have been determined as �a = 0.7233(7) D and �b = 0.4657(ll) D.

Refinement of the structural parameters of potassium metaborate in the gas phase

1984 ◽  
Vol 25 (3) ◽  
pp. 492-493 ◽  
Author(s):  
Yu. S. Ezhov ◽  
S. M. Tolmachev
Keyword(s):  
Gas Phase ◽  
Structural Parameters

scholarly journals Bar effect on gas-phase abundance gradients. I. Data sample and chemical abundances

2020 ◽  
Vol 500 (2) ◽  
pp. 2359-2379 ◽  
Author(s):  
A Zurita ◽  
E Florido ◽  
F Bresolin ◽  
E Pérez-Montero ◽  
I Pérez
Keyword(s):  
Emission Line ◽  
Gas Phase ◽  
Direct Method ◽  
Structural Parameters ◽  
Companion Paper ◽  
Strong Line ◽  
H Ii Regions ◽  
Chemical Abundances ◽  
The Galaxy ◽  
H Ii Region

ABSTRACT Studies of gas-phase radial metallicity profiles in spirals published in the last decade have diminished the importance of galactic bars as agents that mix and flatten the profiles, contradicting results obtained in the 1990s. We have collected a large sample of 2831 published H ii region emission-line fluxes in 51 nearby galaxies, including objects both with and without the presence of a bar, with the aim of revisiting the issue of whether bars affect the radial metal distribution in spirals. In this first paper of a series of two, we present the galaxy and the H ii region samples. The methodology is homogeneous for the whole data sample and includes the derivation of H ii region chemical abundances, structural parameters of bars and discs, galactocentric distances, and radial abundance profiles. We have obtained O/H and N/O abundance ratios from the Te-based (direct) method for a subsample of 610 regions, and from a variety of strong-line methods for the whole H ii region sample. The strong-line methods have been evaluated in relation to the Te-based one from both a comparison of the derived O/H and N/O abundances for individual H ii regions and a comparison of the abundance gradients derived from both methodologies. The median value and the standard deviation of the gradient distributions depend on the abundance method, and those based on the O3N2 indicator tend to flatten the steepest profiles, reducing the range of observed gradients. A detailed analysis and discussion of the derived O/H and N/O radial abundance gradients and y-intercepts for barred and unbarred galaxies is presented in the companion Paper II. The whole H ii region catalogue including emission-line fluxes, positions, and derived abundances is made publicly available on the CDS VizieR facility, together with the radial abundance gradients for all galaxies.

Mikrowellenspektrum, Hinderungspotential der internen Rotation und teilweise r0-Struktur des para-Chlortoluols

1967 ◽  
Vol 22 (5) ◽  
pp. 761-764 ◽  
Author(s):  
G. E. Herberich
Keyword(s):  
Internal Rotation ◽  
Structural Parameters ◽  
Rotational Constants ◽  
Methyl Group ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Nuclear Quadrupole

The rotational microwave spectra of the two chlorine isotopic species of para-chlorotoluene have been measured in the region from 8.4—11.3 GHz. Values for the rotational constants and for the nuclear quadrupole constants have been determined. The barrier to internal rotation of the methyl group is V6 = 13.93 ± 0.04 cal/mole. Two structural parameters have been estimated, namely 1.394 Å for the average ring C — C distance and 1.74 ± 0.01 A for the C — Cl distance.

Theoretical analysis of ammoniaborane and alkylammoniaborane at the solid state

2017 ◽  
Author(s):  
Mariano Méndez Chávez
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Theoretical Analysis ◽  
Gas Phase ◽  
Density Functional ◽  
Structural Parameters ◽  
Ammonia Borane ◽  
Functional Theory ◽  
The Density Functional Theory

This work deals with a benchmark for the calculation of the structural parameters of ammonia-borane and alkylammonia-borane at the solid state, using hybrid and GGA functionals in the framework of the Density Functional Theory as well as the use of Grimme's empirical dispersion. A comparison for some dimers of the aforementioned species, calculated at the gas-phase at the level MP2/aug-cc-pVTZ is discussed.

Sign in / Sign up

Export Citation Format

Share Document