Jiang Ling, Kohyama Masanori, Haruta Masatake, Xu Qiang
National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka 563-8577, Japan.
J Phys Chem A. 2008 Dec 25;112(51):13495-9. doi: 10.1021/jp8083925.
Reactions of laser-ablated Au atoms with N(2)O molecules in excess argon have been investigated using matrix-isolation infrared spectroscopy and density functional theory calculation. On the basis of isotopic shifts, mixed isotopic splitting patterns, CCl(4)-doping experiments, and the comparison with theoretical calculations, the absorption at 2047.5 cm(-1) is assigned to the OAuNN(-) anion, and the absorption at 1512.3 cm(-1) is assigned to the AuNO(-) anion, respectively. No evidence is found for the formation of new neutral and cationic products in the present experiments. It is predicted that the OAuNN(-) anion is a linear singlet molecule and the AuNO(-) anion is a bent doublet molecule. The agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identifications of these species from the matrix infrared spectra. Plausible reaction pathways have also been discussed for the formation of these products.
利用基质隔离红外光谱和密度泛函理论计算，研究了在过量氩气中激光烧蚀的金原子与N₂O分子的反应。基于同位素位移、混合同位素分裂模式、CCl₄掺杂实验以及与理论计算的比较，2047.5 cm⁻¹处的吸收峰归属于OAuNN⁻阴离子，1512.3 cm⁻¹处的吸收峰归属于AuNO⁻阴离子。在本实验中未发现形成新的中性和阳离子产物的证据。据预测，OAuNN⁻阴离子是线性单重态分子，AuNO⁻阴离子是弯曲的双重态分子。实验和计算得到的振动频率、相对吸收强度以及同位素位移之间的一致性，支持了从基质红外光谱中对这些物种的鉴定。还讨论了形成这些产物的合理反应途径。
