CLB18:数据库包含18个具有异常长C–C键的分子
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CLB18数据库是一个独特的资源,专门收录了18种含有异常长碳-碳(C-C)键的分子。这个数据库是由Morgante和Peverati两位研究人员建立的,旨在汇集那些具有非典型化学键长度的有机化合物的信息,这些分子在化学、材料科学和量子化学等领域具有重要的研究价值。 在传统的化学观念中,碳-碳单键通常长约1.54 Å(埃),双键约为1.34 Å,而三键约为1.20 Å。然而,CLB18数据库中的分子却打破了这一常规,它们的C-C键长度显著超出这些范围,展现出异常的化学性质。这些长键的存在可能源于多种因素,如电子离域、分子构型、配位作用或超共轭效应等。 数据库的创建是基于对这些特殊化学现象的深入理解和记录,为科学家们提供了宝贵的实验和理论计算数据。这些数据可以帮助研究人员探索新的化学反应途径,理解分子稳定性的新机制,以及开发新型材料和药物分子。例如,某些长键化合物可能在催化反应中表现出独特活性,或者作为光谱探针来研究分子间相互作用。 CLB18数据库的组织结构可能包括每个分子的详细结构信息,如分子式、三维结构坐标、键长和键角数据,以及相关的实验和计算方法。此外,它可能还包含了关于如何生成这些分子的合成路线,以及它们的物理和化学性质的描述。 提到的"TeX"标签可能意味着数据库中的部分资料采用了TeX排版系统,这是一种广泛用于科学文献排版的工具,特别适合处理复杂的数学公式和化学结构式。这使得数据报告既清晰又专业,便于同行评审和学术交流。 CLB18数据库是一个重要的科学资源,它为研究非典型化学键提供了宝贵的数据集,对于推动化学、材料科学和量子化学等相关领域的前沿研究具有重要意义。科学家们可以利用这个数据库进行结构-性能关系的研究,探索新的化学现象,并可能发现具有创新应用潜力的新物质。通过深入分析和模拟这些异常长C-C键的分子,我们有望揭示更多关于化学键本质的秘密,推动科学进步。
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