Nagarajan Ramya, Morse Michael D
Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, USA.
J Chem Phys. 2007 Aug 21;127(7):074304. doi: 10.1063/1.2756533.
Rotationally resolved resonant two-photon ionization (R2PI) spectra of ScCo and YCo are reported. The measured spectra reveal that these molecules possess ground electronic states of (1)Sigma(+) symmetry, as previously found in the isoelectronic Cr(2) and CrMo molecules. The ground state rotational constants for ScCo and YCo are B(0)(")=0.201 31(22) cm(-1) and B(0) (")=0.120 96(10) cm(-1), corresponding to ground state bond lengths of r(0) (")=1.812 1(10) A and r(0) (")=1.983 0(8) A, respectively. A single electronic band system, assigned as a (1)Pi<--X (1)Sigma(+) transition, has been identified in both molecules. In ScCo, the (1)Pi state is characterized by T(0)=15,428.8, omega(e)(')=246.7, and omega(e)(')x(e)(')=0.73 cm(-1). In YCo, the (1)Pi state has T(0)=13 951.3, omega(e)(')=231.3, and omega(e)(')x(e) (')=2.27 cm(-1). For YCo, hot bands originating from levels up to v(")=3 are observed, allowing the ground state vibrational constants omega(e)(")=369.8, omega(e)(")x(e)(")=1.47, and Delta G(12)(")=365.7 cm(-1) to be deduced. The bond energy of ScCo has been measured as 2.45 eV from the onset of predissociation in a congested vibronic spectrum. A comparison of the chemical bonding in these molecules to related molecules is presented.
报道了ScCo和YCo的转动分辨共振双光子电离(R2PI)光谱。测量的光谱表明,这些分子具有(1)Σ⁺对称性的基电子态,正如之前在等电子体Cr₂和CrMo分子中所发现的那样。ScCo和YCo的基态转动常数分别为B(0)(")=0.201 31(22) cm⁻¹和B(0) (")=0.120 96(10) cm⁻¹,分别对应于基态键长r(0) (")=1.812 1(10) Å和r(0) (")=1.983 0(8) Å。在这两种分子中都识别出了一个单一的电子能带系统,被指定为(1)Π←X (1)Σ⁺跃迁。在ScCo中,(1)Π态的特征为T(0)=15428.8,ω(e)(')=246.7,以及ω(e)(')x(e)(')=0.73 cm⁻¹。在YCo中,(1)Π态具有T(0)=13951.3,ω(e)(')=231.3,以及ω(e)(')x(e) (')=2.27 cm⁻¹。对于YCo,观察到了源自高达v(")=3能级的热谱带,从而推导出基态振动常数ω(e)(")=369.8,ω(e)(")x(e)(")=1.47,以及ΔG(12)(")=365.7 cm⁻¹。通过在拥挤的振转光谱中预解离的起始点,测得ScCo的键能为2.45 eV。还对这些分子与相关分子中的化学键进行了比较。