Department of Chemistry, University of Leicester, University Road, Leicester LE1 7RH, United Kingdom.
J Chem Phys. 2011 Mar 28;134(12):124304. doi: 10.1063/1.3570824.
Electronic spectra of LiNH(3) and its partially and fully deuterated analogues are reported for the first time. The spectra have been recorded in the near-infrared and are consistent with two electronic transitions in close proximity, the Ã(2)E-X(2)A(1) and B(2)A(1)-X(2)A(1) systems. Vibrational structure is seen in both systems, with the Li-N-H bending vibration (ν(6)) dominant in the Ã(2)E-X(2)A(1) system and the Li-N stretch (ν(3)) in the B(2)A(1)-X(2)A(1) system. The prominence of the 6(0)(1) band in the Ã(2)E-X(2)A(1) spectrum is attributed to Herzberg-Teller coupling. The proximity of the B(2)A(1) state, which lies a little more than 200 cm(-1) above the Ã(2)E state, is likely to be the primary contributor to this strong vibronic coupling.
首次报道了 LiNH(3)及其部分和完全氘代类似物的电子光谱。这些光谱是在近红外区域记录的，与两个非常接近的电子跃迁一致，即 Ã(2)E-X(2)A(1)和 B(2)A(1)-X(2)A(1)系统。两个系统中都观察到了振动结构，Ã(2)E-X(2)A(1)系统中以 Li-N-H 弯曲振动（ν(6)）为主，B(2)A(1)-X(2)A(1)系统中以 Li-N 伸缩振动（ν(3)）为主。Ã(2)E-X(2)A(1)光谱中 6(0)(1)带的显著存在归因于 Herzberg-Teller 耦合。B(2)A(1)态的出现，它比 Ã(2)E 态高出略多于 200cm(-1)，可能是这种强烈的振子耦合的主要原因。
