Laboratory microwave spectroscopy of the doubly deuterated cyanomethyl radical, D2CCN [0.03%]
双氘代氰甲基自由基D2CCN的实验室微波光谱研究
Carlos Cabezas,Yasuki Endo,José Cernicharo
Carlos Cabezas
The microwave spectrum of the doubly deuterated cyanomethyl radical (D2CCN) in its ground electronic state (2 B 1) has been observed for the lowest four rotational transitions (NKa,Kc = 10,1-00,0, 20,2-10,1, 21,2-10,1 and 21,1-11,0) using a...
Thomas Salomon,José L Doménech,Philipp C Schmid et al.
Thomas Salomon et al.
A cryogenic 22-pole ion trap apparatus is used in combination with a table-top pulsed IR source to probe weakly bound CH+-He and CH+-He4 complexes by predissociation spectroscopy at 4 K. The infrared photodissociation spectra of the C-H str...
Anharmonic Infrared Spectra of Thermally Excited Pyrene (C16H10): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNano [0.03%]
基于DFT的GVPT2与非谐CaOs的结合以及近似DFT分子动力学与DemonNano对热激发萘（C16H10）的非谐红外光谱的研究
Shubhadip Chakraborty,Giacomo Mulas,Mathias Rapacioli et al.
Shubhadip Chakraborty et al.
The study of the Aromatic Infrared Bands (AIBs) in astronomical environments has opened interesting spectroscopic questions on the effect of anharmonicity on the infrared (IR) spectrum of hot polycyclic aromatic hydrocarbons (PAHs) and rela...
High-resolution infrared action spectroscopy of the fundamental vibrational band of CN [0.03%]
CN基振动带的高分辨率红外动作光谱学研究
José L Doménech,Oskar Asvany,Charles R Markus et al.
José L Doménech et al.
Rotational-vibrational transitions of the fundamental vibrational modes of the 12C14N+ and 12C15N+ cations have been observed for the first time using a cryogenic ion trap apparatus with an action spectroscopy scheme. The lines P(3) to R(3)...
Isotopic Dependence of the Hydrogen-Transfer-Triggered Methyl-Group Rotation in Deuterated 5-Methyltropolone [0.03%]
5-甲基环氧己二烯酮的二氢化合物中受氢转移触发的甲基转动的同位素效应研究
Vadim V Ilyushin,Alyssa M Johnson,Jenna Hohl et al.
Vadim V Ilyushin et al.
We present here the first experimental study of the microwave spectrum of deuterated 5-methyltropolone, a molecule which exhibits two large-amplitude motions: an intramolecular hydrogen transfer (deuterium transfer in the current case of de...
Cross-contamination of the fitting parameters in multidimensional tunneling treatments [0.03%]
多维隧道处理中拟合参数的交叉污染
Nobukimi Ohashi,Jon T Hougen
Nobukimi Ohashi
In this paper we examine the two-dimensional tunneling formalism used previously to fit the hydrogen-transfer and internal-rotation splittings in the microwave spectrum of 2-methylmalonaldehyde in an effort to determine the origin of variou...
Ab initio calculations of torsionally mediated hyperfine splittings in E states of acetaldehyde [0.03%]
从头算研究乙醛E态扭转能级引发的超精细分裂现象
Li-Hong Xu,E M Reid,B Guislain et al.
Li-Hong Xu et al.
Quantum chemistry packages can be used to predict with reasonable accuracy spin-rotation hyperfine interaction constants for methanol, which contains one methyl-top internal rotor. In this work we use one of these packages to calculate comp...
Quantitative modeling of complex molecular response in coherent cavity-enhanced dual-comb spectroscopy [0.03%]
相干腔增强双频梳光谱学中复杂分子响应的定量建模
Adam J Fleisher,David A Long,Joseph T Hodges
Adam J Fleisher
We present a complex-valued electric field model for experimentally observed cavity transmission in coherent cavity-enhanced (CE) multiplexed spectroscopy (i.e., dual-comb spectroscopy, DCS). The transmission model for CE-DCS differs from t...
Building Blocks of Dust: A Coordinated Laboratory and Astronomical Study of AGB Stars [0.03%]
尘埃的构建模块：造父型变星的实验室与天文联合研究
Michael C McCarthy,Carl A Gottlieb,Jose Cernicharo
Michael C McCarthy
This article provides an overview of recent astronomical studies and a closely coordinated laboratory program devoted to the study of the physics and chemistry of carbon rich Asymptotic Giant Branch (AGB) stars. The increased sensitivity an...
On the competition between weak O-H···F and C-H···F hydrogen bonds, in cooperation with C-H···O contacts, in the difluoromethane - tert-butyl alcohol cluster [0.03%]
弱OH···F和C-H···F氢键在与C-H···O相互作用协同下，在二氟甲烷-叔丁醇聚集体中的竞争现象研究
Lorenzo Spada,Nicola Tasinato,Giulio Bosi et al.
Lorenzo Spada et al.
The 1:1 complex of tert-butyl alcohol with difluoromethane has been characterized by means of a joint experimental-computational investigation. Its rotational spectrum has been recorded by using a pulsed-jet Fourier-Transform microwave spec...