Beyond [lambda][subscript max] Part 2: Predicting Molecular Color

Autor/inn/en	Williams, Darren L.; Flaherty, Thomas J.; Alnasleh, Bassam K.
Titel	Beyond [lambda][subscript max] Part 2: Predicting Molecular Color
Quelle	In: Journal of Chemical Education, 86 (2009) 3, S.333-339 (7 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
Schlagwörter	Prediction; Chemistry; Science Instruction; Computation; Color; Molecular Structure; Spreadsheets; Physical Sciences; Theories; Spectroscopy; Teaching Methods; College Science; Geometric Concepts + Suchen Sie Ihr Suchwort? Vorhersage; Chemie; Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Colour; Farbbezeichnung; Farbe; Spread sheet; Spredsheets; Spreadsheet; Tabellenkalkulation; Natural sciences; Naturwissenschaften; Naturwissenschaft; Theory; Theorie; Spektroskopie; Teaching method; Lehrmethode; Unterrichtsmethode; Elementare Geometrie
Abstract	A concise roadmap for using computational chemistry programs (i.e., Gaussian 03W) to predict the color of a molecular species is presented. A color-predicting spreadsheet is available with the online material that uses transition wavelengths and peak-shape parameters to predict the visible absorbance spectrum, transmittance spectrum, chromaticity diagram, and the standard 24-bit color values, sRGB, at several theoretical concentrations. The technique is demonstrated on azulene derivatives and phenolphthalein. The use of this color-prediction spreadsheet in our introductory chemistry lectures and the physical chemistry laboratory is described along with the applicable topic areas. The theory behind color prediction is explained, but the tool is well-suited for novice users. It has been successful in increasing student engagement with the concepts of spectroscopic absorbance and transmittance while introducing the unfamiliar concepts of standard color spaces. (Contains 4 tables, 5 figures, and 1 scheme.) (As Provided).
Anmerkungen	Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail: jchemed@egpp.com; Web site: http://www.jce.divched.org
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2017/4/10