CCL: Strange value for Optical Rotation in g09
- From: "Norrby, Per-Ola"
<Per-Ola.Norrby{:}astrazeneca.com>
- Subject: CCL: Strange value for Optical Rotation in g09
- Date: Thu, 20 Sep 2018 04:58:56 +0000
Sent to CCL by: "Norrby, Per-Ola" [Per-Ola.Norrby=astrazeneca.com]
No, it’s not correct. For those very strongly rotating, the experiment is
performed with dilution, the calculation gives you the standard state value.
Helicenes can reach several thousand °, need strong dilution to bring it to
a concentration where a traditional polarimeter can measure it.
To have a safe experiment, always confirm you have a linear response to
dilution.
Per-Ola
Sent from my iPhone
> On 20 Sep 2018, at 04:29, Eduardo Lemos de Sa edulsa%%ufpr.br
<owner-chemistry _ ccl.net> wrote:
>
>
> Sent to CCL by: "Eduardo Lemos de Sa" [edulsa**ufpr.br]
> Dear
>
> I have performed calculations on g09 aiming to determine optical rotation
> values for some organic molecules. Almost results are fine (apparently)
> but, one of them pointed me a value of -470.91 (degrees). Of course, I can
> add +360 and find a crude value of -110.91 . Please, could you give some
> advise if this is correct?
>
> Thank you in advance
>
> My best wishes
>
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