Author Topic: Bond distance  (Read 768 times)

0 Members and 1 Guest are viewing this topic.

Offline Akash Ramasamy

  • Regular QuantumATK user
  • **
  • Posts: 9
  • Country: in
  • Reputation: 0
    • View Profile
Bond distance
« on: May 30, 2023, 06:31 »
The Covalent radii in the literature are Si(116 pm) and O(63 pm). But in my case, the covalent bond is formed around (199 pm) between Si and O atoms. Generally, the literature's are mentioning the bond distance must be less than or equal to the sum of covalent radii. Whether the bond I get is considered to be a covalent or van der Waals interaction.
« Last Edit: May 30, 2023, 13:35 by Akash Ramasamy »

Offline Jahanzaib

  • Heavy QuantumATK user
  • ***
  • Posts: 81
  • Country: gb
  • Reputation: 2
    • View Profile
Re: Bond distance
« Reply #1 on: May 31, 2023, 01:15 »
In general, when the bond distance between two atoms is larger than the sum of their covalent radii, it suggests that the interaction is more likely to be a non-covalent interaction, such as a van der Waals interaction, rather than a typical covalent bond.

In your case, if the bond distance between the Si and O atoms is significantly larger (199 pm) than the sum of their covalent radii (116 pm + 63 pm = 179 pm), it suggests that the interaction is more likely to be a van der Waals interaction rather than a typical covalent bond. However, it is important to note that the classification of an interaction as covalent or non-covalent is not always straightforward and can depend on various factors, including the nature of the atoms involved and the specific molecular environment.

Offline Akash Ramasamy

  • Regular QuantumATK user
  • **
  • Posts: 9
  • Country: in
  • Reputation: 0
    • View Profile
Re: Bond distance
« Reply #2 on: May 31, 2023, 12:14 »
Thanks for your suggestion.