benzonitrile-argon | 157464-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzonitrile-argon
• 英文别名: benzonitrile-Ar
• CAS: 157464-30-7
• 化学式: Ar*C₇H₅N
• 分子量: 143.071
• InChiKey: BTAAMLDCAVJZPR-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  氩 、 苯甲腈 以 neat (no solvent) 为溶剂， 生成 benzonitrile-argon
  参考文献：
  名称：

  Highly resolved UV spectroscopy: structure of S1 benzonitrile and benzonitrile-argon by correlation automated rotational fitting

  摘要：

  Highly resolved UV spectra of benzonitrile and benzonitrile-argon were measured by resonance enhanced two-photon ionization. Rotational constants are obtained by correlation automated rotational fitting (CARF) of the rotational fine structure in the spectra. For the benzonitrile monomer the observed line width of less than 100 MHz points to a relaxation rate smaller than 10(9) s(-1). The main origin for the nonradiative relaxation is expected to be internal conversion to the S-1 charge transfer state. The position of the Ar atom in electronically excited (S-1) benzonitrile-argon is 3.48(1) Angstrom above the molecular plane with a slight displacement of 0.535(4) Angstrom towards the C-N group. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0009-2614(97)87187-4

文献信息

• Benzonitrile and its van der Waals complexes studied in a free jet. I. The LIF spectra and the structure
  作者：Tohru Kobayashi、Kenji Honma、Okitsugu Kajimoto、Soji Tsuchiya

  DOI：10.1063/1.452252

  日期：1987.2

  The van der Waals (vdW) complexes consisting of benzonitrile and various partner species were formed in a free jet and their laser-induced fluorescence (LIF) spectra were recorded. For all the species chosen as partners (Ar, Kr, N2O, CF3H, and H2O), the LIF spectra showed a red shift relative to that of benzonitrile monomer. The spectral shift increased with increasing dipole moment of the partner species owing to the large dipole–dipole interaction between the partner species and benzonitrile whose dipole moment amounts to 4.14 D. With the aid of computer simulation, the rotational contours of the LIF spectra of the benzonitrile dimer and benzonitrile–Ar complex were analyzed. The dimer was found to be in planar form with the two CN groups facing each other in an antiparallel geometry, whereas in the Ar complex the Ar atom lies over the benzene ring slightly leaning toward the CN group.