High-Resolution Molecular Spectroscopy Database
The present database comprises references which report the results of high-resolution molecular spectroscopic studies and also of some from related areas such as reaction dynamics, astronomy, atmospheric science, plasma science, and ab initio calculations. High resolution means that the rotational structure is resolved, but the actual coverage of the data is somewhat broader.
About 25,000 references published since early 1950’s are collected, and the acquisition of new publications will continuously be made to update the database twice a year. Each record in this database includes the identification number, the chemical formula of the molecule (or atom) under consideration, the title and the author(s) name(s) of the paper, the name of the journal where it was published, along with the volume number, page(s) and year, and also a few keywords. The users can retrieve any word(s) in these items and also derive a KWIC list. Some principal molecular constants such as rotational constants and structural parameters, the spectroscopic methods employed, and others worth mentioning are added as image data, which were derived by converting the original hand-written manuscripts prepared by one of the authors, E. H.
Each reference is identified by a number: ID (identification number). It is arranged by the name of molecule (i.e. by the chemical formula) investigated.
The references may be accessed through the title, authors names, journal name with the volume number, pages, and year of publication. Some of references contain a few keywords such as spectroscopic methods employed. Errata are also added as supplemental data.
Historical Background of the Database
The present database is based upon a personal collection of references in the field of high-resolution molecular spectroscopy, which was prepared by Eizi Hirota (EH). At an earliest stage he concentrated himself mainly on microwave-spectroscopic data supplemented by some on high-resolution infrared and Raman spectroscopy. Late 1960’s he copied the transcript data so far recorded on notebooks to loose-leaf sheets. At the time of this transcription he complemented his data by referring to the compilation made by Barbara Starck, the so-called Starck’s Table. Since then EH gradually enlarged the areas of data acquisition; electronic spectroscopy is a field most obviously to be taken into account, and others where high-resolution spectroscopy plays a most important role, such as chemical reactions and dynamics, astronomy, atmospheric science, and plasma science. Data acquisition has been expanded so as to include reports on interesting molecules trapped in condensed phases and ab initio calculations on some exotic molecules. Although the number of journals to be searched is limited to 20 or so, the references increase in number steadily at a speed of a few hundred per year, and newly published references will be added to the present database in due course of time.
Convention for Typing the Titles of References, Authors Names, and Keywords
We employ only letters accessible by most common keyboards, in typing the titles of references, the names of authors, and keywords, as in the case of preparing E-mails. The conventions we follow are listed below:
(1) We do not specify superscripts and subscripts. When necessary, we put the expressions in parentheses, in order to avoid confusion that might be caused by omitting this specification and/or to make clear the meaning of the expressions. The isotope is a most typical example; e.g. (13C) and the notation for an electronic state consisting of the spin multiplicity and symmetry is another one: 3A2, but given without parentheses.
(2) We replace special letters such as those with Umlaut of German and accent aigu of French by alphabets, which we judge are most close to them. We apologize that, by following this convention, the names of some authors may not appear properly.
(3) For Greek letters we substitute their phonetic symbols, e.g. “alpha” (lower case) and “DELTA” (upper case); they are inserted in parentheses. (4) We replace italic and bold letters by romans.
(5) We “approximate” some mathematical symbols by those which we think are most appropriate; examples include arrows by <- or ->, plus and minus by +-, and larger than (smaller than) or equal by >= (<=).
May 1, 2009