The extended Woodward UV rules formula for all possible structures

Journal of Physical Organic Chemistry(2021)

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摘要
A new accurate formula for the extended Woodward UV rules for all possible eight structures of α,β‐unsaturated ketones, λmax = 212.82 + 11.37Nsub + 4.79Nexo, was discovered by solving 56 ordered triples using Microsoft Excel's inverse matrix method, with an overall 99.9% accuracy between the observed and calculated maxima values. This discovered formula and these eight unique data points can be illustrated in the linear‐equation plane or visualized in the three‐dimensional graphics using computer software.
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关键词
computer software,mathematical formula,UV‐Vis spectroscopy,Woodward UV rules,α,β‐unsaturated ketones
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