Mishra Adya P, Balasubramanian T K
Spectroscopy Division, Modular Laboratories, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India.
J Chem Phys. 2006 Sep 28;125(12):124507. doi: 10.1063/1.2357596.
It is shown in this paper that from the study of the induced infrared absorption spectra of homonuclear diatomic molecules solvated as impurities in a molecular quantum solid, it is possible to extract information about the rovibrational matrix elements of the multipole moments and polarizability of the embedded molecule. Theoretical expressions are derived for the integrated absorption coefficients of various multipole-field-induced double transitions involving guest-host pairs in a solid para-H(2) matrix. The intensities of some of the quadrupole moment induced transitions involving the N(2)-para-H(2) pair have been measured. From a comparison of the experimental and theoretical intensities, rovibrational matrix elements of the quadrupole moment of N(2) are determined in its ground vibrational state.
本文表明，通过研究作为杂质溶解在分子量子固体中的同核双原子分子的诱导红外吸收光谱，可以提取有关嵌入分子的多极矩和极化率的振转矩阵元的信息。推导了涉及固体对氢（H₂）基质中客体-主体对的各种多极场诱导双跃迁的积分吸收系数的理论表达式。测量了一些涉及N₂-对氢（H₂）对的四极矩诱导跃迁的强度。通过比较实验强度和理论强度，确定了N₂在其基振动态下四极矩的振转矩阵元。
