Laboratory rotational spectroscopy of the magnesium-carbon chains MgC4 H and MgC3 N

被引:2
作者
Changala, P. Bryan [1 ]
Genossar-Dan, Nadav [2 ]
Baraban, Joshua H. [2 ]
McCarthy, Michael C. [1 ]
机构
[1] Harvard & Smithsonian, Ctr Astrophys, Cambridge, MA 02138 USA
[2] Ben Gurion Univ Negev, Dept Chem, IL-8410501 Beer Sheva, Israel
基金
以色列科学基金会; 美国国家科学基金会;
关键词
Rotational spectroscopy; Metal-ligand molecules; Astrochemistry; Laser-coolable molecules; CORRELATED MOLECULAR CALCULATIONS; COUPLED-CLUSTER METHODS; GAUSSIAN-BASIS SETS; SHELL HARTREE-FOCK; ELECTRONIC-SPECTRA; ENERGY GRADIENTS; MILLIMETER; IRC+10216; IDENTIFICATION; INTERSTELLAR;
D O I
10.1016/j.jms.2024.111904
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Recent advances in circumstellar metal chemistry and laser-coolable molecules have spurred interest in the spectroscopy and electronic properties of alkaline earth metal-bearing polyatomic molecules. We report the microwave rotational spectra of two members of this important chemical family, the linear magnesiumcarbon chains MgC 4 H and MgC 3 N, detected with cavity Fourier transform microwave spectroscopy of a laser ablation-electric discharge expansion. The rotation, fine, and hyperfine parameters have been derived from the precise laboratory rest frequencies. These experimental results, combined with a theoretical quantum chemical analysis, confirm the recent identification of MgC 4 H and MgC 3 N in the circumstellar envelope of the evolved carbon-rich star IRC+10216. The spectroscopic data also provide insight into the structural and electronic properties that influence the metal-based optical cycling center in this unique class of laser-coolable polyatomics.
引用
收藏
页数:7
相关论文
共 62 条
[1]   New molecules in IRC+10216: confirmation of C5S and tentative identification of MgCCH, NCCP, and SiH3CN [J].
Agundez, Marcelino ;
Cernicharo, Jose ;
Guelin, Michel .
ASTRONOMY & ASTROPHYSICS, 2014, 570
[2]   LABORATORY DETECTION AND MILLIMETER SPECTRUM OF THE MGCCH RADICAL [J].
ANDERSON, MA ;
ZIURYS, LM .
ASTROPHYSICAL JOURNAL, 1995, 439 (01) :L25-L28
[3]   THE MILLIMETER-WAVE SPECTRUM OF (MGNC)-MG-25 AND (MGNC)-MG-26 - BONDING IN MAGNESIUM ISOCYANIDES [J].
ANDERSON, MA ;
ZIURYS, LM .
CHEMICAL PHYSICS LETTERS, 1994, 231 (2-3) :164-170
[4]   THE MILLIMETER AND SUBMILLIMETER ROTATIONAL SPECTRUM OF THE MGCN RADICAL (X(2)SIGMA+) [J].
ANDERSON, MA ;
STEIMLE, TC ;
ZIURYS, LM .
ASTROPHYSICAL JOURNAL, 1994, 429 (01) :L41-L44
[5]   Profiling astrophysically relevant MgC4H chains. An attempt to aid astronomical observations [J].
Baldea, Ioan .
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2020, 498 (03) :4316-4326
[6]   NONITERATIVE 5TH-ORDER TRIPLE AND QUADRUPLE EXCITATION-ENERGY CORRECTIONS IN CORRELATED METHODS [J].
BARTLETT, RJ ;
WATTS, JD ;
KUCHARSKI, SA ;
NOGA, J .
CHEMICAL PHYSICS LETTERS, 1990, 165 (06) :513-522
[7]  
Bernath PF, 1997, ADV PHOTOCH, V23, P1
[8]   Millimeter-wave spectroscopy of vibrationally-excited NaCCH ((X)over-tilde1Σ+) and MgCCH ((X)over-tilde2Σ+):: the ν5 bending mode [J].
Brewster, MA ;
Apponi, AJ ;
Xin, J ;
Ziurys, LM .
CHEMICAL PHYSICS LETTERS, 1999, 310 (5-6) :411-422
[9]   A computational and spectroscopic study of MgCCH (X2Σ+): towards characterizing MgCCH+ [J].
Burns, Joseph E. ;
Cheng, Qianyi ;
Fortenberry, Ryan C. ;
Sun, Ming ;
Zack, Lindsay N. ;
Zaveri, Trishal ;
DeYonker, Nathan J. ;
Ziurys, Lucy M. .
MOLECULAR PHYSICS, 2024, 122 (7-8)
[10]   Discovery of two metallic cyanoacetylides in IRC+10216: HMgCCCN and NaCCCN; [J].
Cabezas, C. ;
Pardo, J. R. ;
Agundez, M. ;
Tercero, B. ;
Marcelino, N. ;
Endo, Y. ;
de Vicente, P. ;
Guelin, M. ;
Cernicharo, J. .
ASTRONOMY & ASTROPHYSICS, 2023, 672