Department of Chemistry, University of North Texas, 1155 Union Circle, 305070 Denton, Texas 76203-5017, USA.
J Chem Phys. 2010 Jan 14;132(2):024310. doi: 10.1063/1.3291619.
Molecular pulsed jet, chirped-pulse Fourier transform microwave spectroscopy has been used to record 499 transitions for the title molecule. Measurements have been made in the 8-16 GHz regions. Vibrational and electronic ground state rotational constants A, B, and C have been obtained, together with centrifugal distortion terms. The complete iodine and nitrogen nuclear quadrupole coupling tensors have been determined for the first time. Quantum chemical calculations have been performed to aid with analyses and, in particular, to aid in determining the signs of the off-diagonal components of the nuclear quadrupole coupling tensors. An experimentally determined relative electronegativity scale for several polyhalomethyl groups is proposed.
分子脉冲喷射、啁啾脉冲傅里叶变换微波光谱学已被用于记录标题分子的 499 个跃迁。测量在 8-16GHz 范围内进行。获得了振动和电子基态转动常数 A、B 和 C，以及离心变形项。首次确定了完整的碘和氮核四极耦合张量。进行了量子化学计算以辅助分析，特别是帮助确定核四极耦合张量的非对角分量的符号。提出了几个多卤甲基基团的实验确定的相对电负性标度。
