Upon UV light absorption, 4-aminobenzonitrile undergoes an ultrafast radiationless decay process from a charge-transfer state to a locally-excited state. This pathway proceeds through an extended seam of conical intersections between the second- and first-excited singlet electronic states. Quantum dynamics simulations show that planar geometries dominate the earlier times (<20 fs), after which the whole seam becomes explored, as the wavepacket spreads and breathes along both sides of the unstable ridge with respect to the amino-bending coordinate.

中文翻译：

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沿接缝依次发生4-氨基苄腈的超快内部转化

在吸收紫外光后，4-氨基苄腈经历了从电荷转移态到局部激发态的超快无辐射衰变过程。该途径通过第二和第一激发单重态电子态之间的圆锥形交叉点的扩展接缝进行。量子动力学模拟表明，平面几何图形占据了较早的时间（<20 fs），之后，随着波包相对于氨基弯曲坐标沿不稳定脊的两侧扩散和呼吸，整个煤层被探索了。