Chemical Forums
1 Hour
1 Day
1 Week
1 Month
Forever
January 09, 2025, 01:58:22 PM
Forum Rules
: Read This Before Posting
Home
Help
Search
Login
Register
Chemical Forums
Chemistry Forums for Students
Physical Chemistry Forum
Free energy : from vibrational frequency?
« previous
next »
Print
Pages: [
1
]
Go Down
Topic: Free energy : from vibrational frequency? (Read 1897 times)
0 Members and 1 Guest are viewing this topic.
TheOrganic
Regular Member
Posts: 39
Mole Snacks: +5/-3
Gender:
The Organic Chemist
Free energy : from vibrational frequency?
«
on:
May 20, 2014, 05:03:57 PM »
In computational approaches, we apply frequency calculations to get gibbs free energy.
How does gibbs free energy correlate with vibrational frequency? Can anyone explain in very, simple (if possible intuitive) approach?
Thanks.
Logged
Enthalpy
Chemist
Sr. Member
Posts: 4036
Mole Snacks: +304/-59
Re: Free energy : from vibrational frequency?
«
Reply #1 on:
May 20, 2014, 06:04:06 PM »
Each vibration mode stores energy: kT when this vastly exceeds the energy quantum hF, less if not (usual case).
This energy is included in U and S, hence influences U+PV-TS.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
Sponsored Links
Chemical Forums
Chemistry Forums for Students
Physical Chemistry Forum
Free energy : from vibrational frequency?