Structural Characterization of 9-Cyanoanthracene−(Ar)n(n= 0−3) by Rotational Coherence Spectroscopy
Structural Characterization of 9-Cyanoanthracene−(Ar)n(n= 0−3) by Rotational Coherence Spectroscopy
复制标题
通过旋转相干光谱法表征 9-氰基蒽−(Ar)n(n= 0−3)
DOI：
10.1021/jp0035378
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发表时间：
2001
影响因子：
2.9
通讯作者：
O. Kajimoto
中科院分区：
文献类型：
--
作者：
K. Egashira;A. Ohshima;O. Kajimoto
通过时间分辨荧光损耗实现的旋转相干光谱已应用于 9-氰基蒽 (CNA) 及其含有最多三个原子的 Ar 团簇的结构研究。对于裸 CNA，已分别观察到 S1 和 S0 状态的 C 型瞬态，从而产生这两种状态的独立旋转常数集。对于 Ar 团簇，已经导出了作为 S1 和 S0 平均值的旋转常数，以固定团簇的几何形状。 CNA−Ar 中的 Ar 原子位于 CNA 中心芳香环上方 3.46 ± 0.03 A 处，并从环中心向氰基方向稍微移位。平面-Ar 距离与其他多环芳族分子簇中的距离非常接近。氰基位移的两个值（∼0.2或0.6 A）与实验数据一致，并且相关芳烃-Ar的结果表明前者更可取。 CNA−(Ar)2 的主要构象异构体已被确定为双边 (1 + 1) 型： 每侧的结构...
Rotational coherence spectroscopy implemented with time-resolved fluorescence depletion has been applied in a structural study of 9-cyanoanthracene (CNA) and its clusters with Ar up to three atoms. For bare CNA, C-type transients for the S1 and S0 states have been observed separately, yielding independent sets of rotational constants for the two states. For the Ar clusters, rotational constants as averages for S1 and S0 have been derived to fix the cluster geometry. The Ar atom in CNA−Ar is located 3.46 ± 0.03 A above the central aromatic ring of CNA and displaced slightly from the ring center toward the cyano group. The plane−Ar distance is quite close to those in clusters with other polycyclic aromatic molecules. Two values (∼0.2 or 0.6 A) for the displacement to the cyano group are consistent with the experimental data, and results on related aromatics−Ar show that the former is preferable. The dominant conformer of CNA−(Ar)2 has been determined as a two-sided (1 + 1)-type: structures for each sides o...