Spectroscopy and dynamics of the bond, inter- and intra molecular!
In 2009, Goswami and Arunan proposed a condition for hydrogen bonding according to which there should at least be one bound-level along vibrational coordinates which lead to breaking of the hydrogen bond. They showed that this is the significant difference between the open tetrahedron structure of i...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Conference Paper |
| Language: | English |
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2020
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| Online Access: | https://hdl.handle.net/10356/143538 |
| _version_ | 1826111260282847232 |
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| author | Das, Arijit Gnanasekar, Sharon Priya Arunan, Elangannan |
| author2 | Asian Spectroscopy Conference 2020 |
| author_facet | Asian Spectroscopy Conference 2020 Das, Arijit Gnanasekar, Sharon Priya Arunan, Elangannan |
| author_sort | Das, Arijit |
| collection | NTU |
| description | In 2009, Goswami and Arunan proposed a condition for hydrogen bonding according to which there should at least be one bound-level along vibrational coordinates which lead to breaking of the hydrogen bond. They showed that this is the significant difference between the open tetrahedron structure of ice and the close packed structure of solid H2S, and they are not the results of the difference between ‘hydrogen bonding’ and ‘van der Waals interactions’ as commonly assumed. When it comes to the dimers of H2O and H2S, there were plenty of experimental and theoretical results available for the former and very little for the latter. Recently, our group in collaboration with Newcastle University, UK and the National Institute of Standards and Technology, U.S.A. have observed the K=1 transitions of H2S dimer which unambiguously showed that H2S dimer is hydrogen bonded. We have now calculated the barriers along the various large amplitude motions in H2S dimer and shown that it indeed satisfies the criterion of Goswami and Arunan. |
| first_indexed | 2024-10-01T02:47:46Z |
| format | Conference Paper |
| id | ntu-10356/143538 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T02:47:46Z |
| publishDate | 2020 |
| record_format | dspace |
| spelling | ntu-10356/1435382020-10-16T01:44:58Z Spectroscopy and dynamics of the bond, inter- and intra molecular! Das, Arijit Gnanasekar, Sharon Priya Arunan, Elangannan Asian Spectroscopy Conference 2020 Institute of Advanced Studies Science::Chemistry Hydrogen Bond Microwave Spectroscopy In 2009, Goswami and Arunan proposed a condition for hydrogen bonding according to which there should at least be one bound-level along vibrational coordinates which lead to breaking of the hydrogen bond. They showed that this is the significant difference between the open tetrahedron structure of ice and the close packed structure of solid H2S, and they are not the results of the difference between ‘hydrogen bonding’ and ‘van der Waals interactions’ as commonly assumed. When it comes to the dimers of H2O and H2S, there were plenty of experimental and theoretical results available for the former and very little for the latter. Recently, our group in collaboration with Newcastle University, UK and the National Institute of Standards and Technology, U.S.A. have observed the K=1 transitions of H2S dimer which unambiguously showed that H2S dimer is hydrogen bonded. We have now calculated the barriers along the various large amplitude motions in H2S dimer and shown that it indeed satisfies the criterion of Goswami and Arunan. Published version 2020-09-08T02:14:16Z 2020-09-08T02:14:16Z 2020 Conference Paper Das, A., Gnanasekar, S. P., & Arunan, E. (2020). Spectroscopy and dynamics of the bond, inter- and intra molecular!. Proceedings of the 7th Asian Spectroscopy Conference 2020 (ASC 2020). doi:10.32655/ASC_8-10_Dec2020.2 https://hdl.handle.net/10356/143538 10.32655/ASC_8-10_Dec2020.2 en © 2020 Nanyang Technological University application/pdf |
| spellingShingle | Science::Chemistry Hydrogen Bond Microwave Spectroscopy Das, Arijit Gnanasekar, Sharon Priya Arunan, Elangannan Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title | Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title_full | Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title_fullStr | Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title_full_unstemmed | Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title_short | Spectroscopy and dynamics of the bond, inter- and intra molecular! |
| title_sort | spectroscopy and dynamics of the bond inter and intra molecular |
| topic | Science::Chemistry Hydrogen Bond Microwave Spectroscopy |
| url | https://hdl.handle.net/10356/143538 |
| work_keys_str_mv | AT dasarijit spectroscopyanddynamicsofthebondinterandintramolecular AT gnanasekarsharonpriya spectroscopyanddynamicsofthebondinterandintramolecular AT arunanelangannan spectroscopyanddynamicsofthebondinterandintramolecular |