Chemical detection by irrediation?

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Discussion Overview

The discussion revolves around the detection of chemical components through irradiation, exploring the principles of spectroscopy and the mathematical relationships that may arise from these interactions. It includes theoretical considerations and potential applications in chemical detection.

Discussion Character

  • Exploratory, Technical explanation, Conceptual clarification

Main Points Raised

  • Some participants propose that complex or man-made molecules can decompose to leave detectable components, which may be identified through various methods, including irradiation.
  • One participant confirms that spectroscopy techniques, such as Nuclear Magnetic Resonance, infrared, and visible/UV spectroscopy, are based on the principle of irradiating components to detect their existence.
  • A participant raises a question about the mathematics of irradiation, suggesting that specific atomic structures may react to energy inputs, potentially allowing for mathematical relationships to be established regarding their behavior.
  • Another participant agrees and elaborates that there are methods to calculate spectra, mentioning empirical and semiempirical methods like Molecular Mechanics and Hartree-Fock, which can be used to predict spectra prior to experimentation.

Areas of Agreement / Disagreement

Participants generally agree on the applicability of spectroscopy for detection through irradiation, but the discussion includes varying levels of detail regarding mathematical relationships and methods of calculation, indicating some complexity and nuance in the topic.

Contextual Notes

The discussion touches on the limitations of relying solely on empirical methods and the potential need for experimental validation, but does not resolve the specifics of mathematical relationships or the effectiveness of different methods.

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Some complex/man made molecules decompose so as to leave detectable components. The detection of these components may be accomplished by QA or a good nose. However, is it possible to irradiate the suspected components with a resonant energy thereby exposing it’s existence?
 
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Yes.

This is the basis of several forms of spectroscopy such as Nuclear Magnetic Resonance spectroscopy, infrared spectroscopy and visible and UV spectroscopy.
 
the mathematics of irrediation?

Thank you, I suspected as much. It was a leading question to another one that is probably best asked as generally as the previously one, If you will stay with me please. I now know that various atomic structures may be illuminated dependent on its components and the illuminator or by injecting particular types of energy into the structure causing it to react in such a minor so as to expose its existence. If this is the case, there may be particular traits within the structure that may allow a mathematical relationship to be determined. This being possible, a predisposition may be made regarding structure behavior prior to experimentation. ?
 
Absolutely. There are numerous methods to calculate these spectra. Calculation prior to experimentation, that is, without reliance on experiment (termed 'semiempirical') is called an 'empirical' method. Examples of these empirical methods are Molecular Mechanics (MM) and Hartree-Fock. I believe that both empirical and semiempirical methods can be used to calculate spectra but the semiemprircal techniques are most often used.
 

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