The 1985 nobel prize in chemistry.
The 1985 nobel prize in chemistry.
复制标题
1985年诺贝尔化学奖。
DOI：
10.1126/science.231.4736.362
复制
发表时间：
1986
期刊：
影响因子：
56.9
通讯作者：
W. Hendrickson
中科院分区：
文献类型：
--
作者：
W. Hendrickson
瑞典皇家科学院决定将今年的诺贝尔化学奖授予赫伯特·A·豪普特曼和杰罗姆·卡勒。卡勒和豪普特曼是公认的开创性地发展了测定晶体结构的直接方法。用结晶学家的话来说，“直接方法”是指利用晶体的衍射数据之间的数学关系来解决“相问题”，从而产生原子结构的图像。基于直接方法的计算机程序现在每年被常规地用来解析数千个晶体结构。斯德哥尔摩的公告特别列举了获奖者在1950年至1956年间所做的工作。今天的成功项目是那些年播下的智力种子的果实。然而，这些早期的想法需要一段时间的酝酿。如果遵循了诺贝尔奖的遗嘱，目前的奖项很可能应该是在1954年颁发的(尽管那一年选择莱纳斯·鲍林很难受到质疑)。正是在1953年，豪普特曼和卡勒出版了一本名为《位相问题的解I：中心对称晶体》的专著。这本深奥的数学论文似乎与化学几乎没有相似之处，它大胆地宣布解决了一个以前难以解决的问题，遭到了质疑和一些抵制。然而，从长远来看，影响是巨大的。这本专著首次开辟了利用概率论解决结晶学相问题的新的肥沃土壤。这种概率方法是Karle和Hauptman在1956年推广到包括非中心对称晶体的，并在实际应用中占了上风。当时宣布的常规解决方案在今天确实成为了相当复杂的结构的现实。因此，幸运的是，阿尔弗雷德·诺贝尔承认“在紧随其后的一年”做出的“最重要的化学发现或改进”的意愿没有被太过字面理解：1900年为管理诺贝尔基金会而制定的法规将诺贝尔关于目前资格的意图解释为包括“较早地位的作品或发明”，如果“它们的重要性以前从未得到证明”。衡量诺贝尔科学奖声望的一个很好的衡量标准，可以安全地归因于这样一种智慧，即通过经验测试来证明重要性，从而挑选出具有立竿见影效果的具体成就。化学中的晶体结构。三维结构是化学中一个至关重要的成分。为了了解分子中的化学键，理解分子与其他分子的反应和相互作用，了解原子在分子中的排列方式是至关重要的。有几种方法可以推断这种结构，但对晶体的x射线衍射数据的分析无疑是其中最重要的。
T HE ROYAL SWEDISH ACADEMY OF SCIENCES HAS CHOSEN to honor Herbert A. Hauptman and Jerome Karle with this year's Nobel Prize in Chemistry. Karle and Hauptman are recognized for their pioneering development of direct methods for the determination of crystal structures." Direct methods," in the parlance of crystallographers, concem the use of mathematical relationships among the diffraction data from a crystal in order to solve the" phase problem" and thereby produce an image of the atomic structure. Computer programs based on direct methods are now used routinely to solve several thousand crystal structures each year.The announcement from Stockholm specifically cites work done by the prizewinners between 1950 and 1956. Today's successful programs are the fruit of intellectual seed sown in those years. However, these early ideas took some while in gestation. Ifthe letter of Nobel's will were to have been followed, the present award should probably have made in 1954 (although that year's choice of Linus Pauling can hardly be questioned). It was in 1953 that Hauptman and Karle published a monograph entitled" Solution of the Phase Problem I. The Centrosymmetric Crystal." This recondite mathematical treatise seems to bear scant resemblance to chemistry, and its boldly pronounced solution of a previously intractable problem was greeted with skepticism andsome resistance. However, the impact in the long run has been tremendous. The monograph first plowed the new and fertile ground of using probability theory to attack the crystallographic phase problem. This probabilistic approach was generalized by Karle andHauptman in 1956 to include non-centrosymmetric crystals and it has prevailed in practi-cal implementation. The routine solution announced then is indeed a reality today for structures of considerable complexity. Fortunate it is, then, that the will of Alfred Nobel to recognize" the most important chemical discovery or improvement" contributed" during the year immediately preceding" is not taken too literally: the Code of Statutes established in 1900 to govern the Nobel Foundation interprets Nobel's intention regarding current eligibility so as to include" works or inventions of older standing" if" their importance have not previously been demonstrated." A goodly measure of the celebrated stature of the Nobel Prizes in science can safely be ascribed to the wisdom of tempering the wish to single out specific accomplishments ofimmediate impact with a test of experience as a proofof significance. Crystal structures in chemistry. Three-dimensional structure is a critically important ingredient of chemistry. It is essential to know how the atoms are disposed within a molecule in order to understand its chemical bonding and to make sense of its reactions and interactions with other molecules. There are several ways by which such structures can be deduced, but the analysis of x-ray diffraction data from crystals is far and away the most significant of these