TY - JOUR
T1 - Chemistry in laser-induced plasmas
T2 - formation of M-C≡C-Cl (M = Ag or Cu) and their characterization by rotational spectroscopy
AU - Zaleski, Daniel P
AU - Tew, David P
AU - Walker, Nicholas R
AU - Legon, Anthony C
PY - 2015/3/26
Y1 - 2015/3/26
N2 - The new linear molecule Ag-C≡C-Cl has been detected and fully characterized by means of rotational spectroscopy. It was synthesized by laser ablation of a silver rod in the presence of a gaseous sample containing a low concentration of CCl4 in argon, cooled to a rotational temperature approaching ∼1-3 K through supersonic expansion, and analyzed by chirped-pulse, Fourier transform microwave spectroscopy. Six isotopologues were investigated, and for each the spectroscopic constants B0, D(J) and χ(aa)(Cl) were determined. The B0 values were interpreted to give the following bond lengths: r(Ag-C) = 2.015(14) Å and r(C-Cl) = 1.635(6) Å, with r(C≡C) = 1.2219 Å assumed from an ab initio calculation at the CCSD(T)/aug-cc-pV5Z level of theory. The Cu analogue Cu-C≡C-Cl was similarly identified and characterized.
AB - The new linear molecule Ag-C≡C-Cl has been detected and fully characterized by means of rotational spectroscopy. It was synthesized by laser ablation of a silver rod in the presence of a gaseous sample containing a low concentration of CCl4 in argon, cooled to a rotational temperature approaching ∼1-3 K through supersonic expansion, and analyzed by chirped-pulse, Fourier transform microwave spectroscopy. Six isotopologues were investigated, and for each the spectroscopic constants B0, D(J) and χ(aa)(Cl) were determined. The B0 values were interpreted to give the following bond lengths: r(Ag-C) = 2.015(14) Å and r(C-Cl) = 1.635(6) Å, with r(C≡C) = 1.2219 Å assumed from an ab initio calculation at the CCSD(T)/aug-cc-pV5Z level of theory. The Cu analogue Cu-C≡C-Cl was similarly identified and characterized.
U2 - 10.1021/acs.jpca.5b01861
DO - 10.1021/acs.jpca.5b01861
M3 - Article (Academic Journal)
C2 - 25732940
SN - 1089-5639
VL - 119
SP - 2919
EP - 2925
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 12
ER -