@article{Cooper2010, author = {Paul D. Cooper}, title = {A Simple and Convenient Method of Multiple Linear Regression To Calculate Iodine Molecular Constants}, journal = {Journal of Chemical Education}, volume = {87}, number = {7}, pages = {687-690}, year = {2010}, doi = {10.1021/ed100287r}, URL = { http://dx.doi.org/10.1021/ed100287r }, eprint = { http://dx.doi.org/10.1021/ed100287r } , abstract = { A new procedure using a student-friendly least-squares multiple linear-regression technique utilizing a function within Microsoft Excel is described that enables students to calculate molecular constants from the vibronic spectrum of iodine. This method is advantageous pedagogically as it calculates molecular constants for ground and excited I2 states simultaneously, directly from equations of energy for vibronic transitions. In addition, this method calculates the standard errors of the molecular constants and allows students to comment on the accuracy of the data. } } @article{Williamson2013, author = {J. Charles Williamson and Thomas S. Kuntzleman and Rachael A. Kafader}, title = {A Molecular Iodine Spectral Data Set for Rovibronic Analysis}, journal = {Journal of Chemical Education}, volume = {90}, number = {3}, pages = {383-385}, year = {2013}, doi = {10.1021/ed300455n}, URL = { http://dx.doi.org/10.1021/ed300455n }, eprint = { http://dx.doi.org/10.1021/ed300455n } , abstract = { A data set of 7,381 molecular iodine vapor rovibronic transitions between the X and B electronic states has been prepared for an advanced undergraduate spectroscopic analysis project. Students apply standard theoretical techniques to these data and determine the values of three X-state constants (B̃e″, ν̃e″, D̃e″) and four B-state constants (B̃e′, ν̃e′, D̃e′, T̃e′). Morse potentials for the two states may be calculated from these seven constants. } }