Abstract
The FTIR spectrum of 2, 5-difluorobenzonitrile has been recorded in the region 200–4000 cm−1 (in liquid phase). The laser Raman spectrum in the range of 0–3500 cm−1 (in liquid phase) has also been recorded. The spectra have been analyzed assuming C s point group symmetry for the molecule. A zero-order normal coordinate analysis has been made for the molecule using force constants derived earlier. On the basis of potential energy distributions and eigen vectors unambiguous vibrational assignments have been made for all the fundamentals of the molecule. Thermodynamic functions have also been computed in the temperature range 200–1000 K by utilizing the observed fundamental frequencies assuming rigid-rotor harmonic oscillator approximation.
Similar content being viewed by others
References
S Komamine, M Fujitsuka, O Ito and A Itaya J. Photochem. Photobiol. A Chem. 135 111 (2000)
H Irngartinger, P W Fettel, T Escher, P Tinnefeld, S Nord and M Sauer Eur. J. Org. Chem. 3 455 (2000)
T Da Ros, M Prato, D M Guldi, M Ruzzi and L Pasimeni Chem A Eur. J. 7 816 (2001)
T Konishi, M Fujitsuka, O Ito, Y Toba and Y Usui Bull. Chem. Soc. Jpn. 74 39 (2001)
H Imahori, M E El-khouly, M Fujitsuka, O Ito, Y Sakata and S Fukuzumi J. Phys. Chem. A105 325 (2001)
J Raap, S Nieuwenhuis, A Geemers, S Hexspoor, U Kragl and J Lugtenburg Eur. J. Org. Chem. 10 2609 (1999)
M A Palafox, V K Rastogi and L Mittal Int. J. Quantum Chem. 94 189 (2003)
Q A Almatawah, R Cramp and D A Cowan Extremophiles 3 283 (1999)
S P Sinha and C L Chatterjee Spectrosc. Lett. 9 461 (1976)
J H S Green and D J Harrison Spectrochim Acta. A32 1279 (1976)
R K Goel, S K Gupta and S N Sharma Pramana. 11 541 (1978)
A Kuwae and K Machida Spectrochim Acta. A35 841 (1979)
A N Pathak and B K Sinha Indian J. Pure & Appl. Phys. 18 619 (1980)
S Ram, B K Gupta and J S Yadav, Indian J. Pure & Appl. Phys. 19 1110 (1981)
A Rashid and P K Verma Indian J. Pure & Appl. Phys. 20 672 (1982)
J A Draeger Spectrochim. Acta. A39 809 (1983)
B K Sinha Indian J. Pure & Appl. Phys. 22 51 (1984)
E V Huded, N H Ayachit, M A Shashidhar and K R Suryanarayana Indian J. Pure & Appl. Phys. 25 289 (1987)
J Baran, Z Malarski, L Sobczyk and E Grech Spectrochim Acta. A44 933 (1988)
R Rao, M K Aralakkanavar, K S Rao and M A Shashidhar Indian J. Pure & Appl. Phys. 27 817 (1989)
R Rao, M K Aralakkanavar, K S Rao and M A Shashidhar Spectrochim. Acta. A45 103 (1989)
V K Rastogi, H P Mital, S N Sharma and C Chattopadhya Indian J. Phys. B65 356 (1991)
G Bottura, S Arora, J K Gupta and V K Rastogi Asian J. Phys. 1 58 (1992)
R Chandra, A Singh and T P Singh Asian J. Phys. 2 50 (1993)
V K Rastogi, J Sangal, J P Goel and L Singh Proc. 9th Int Conf. on Fourier Transform Spectroscopy, Canada (1993)
B Lal, S K Singh and Y C Sharma Asian J. Phys. 5 219 (1996)
B Lal, A P Jyotishi, J K Gupta and A N Pandey Asian J. Phys. 5 265 (1996)
A P Kumar and G R Rao Spectrochim. Acta. A53 2033, 2041, 2049 (1997)
V K Rastogi, C B Arora, S K Singhal, D N Singh and R A Yadav Spectrochim. Acta. A53 2505 (1997)
V K Rastogi, M A Palafox, S Singh and S K Singhal Asian J. Phys. 7 229 (1998)
V K Rastogi, V Jain, MA Palafox, D N Singh and R A Yadav Spectrochim. Acta. A57, 209 (2001)
V K Rastogi, M A Palafox, C Singh and R P Tanwar Spectrochim. Acta. A57 2373 (2001)
V K Rastogi, M A Palafox, R P Tanwar and L Mittal Spectrochim. Acta. A58 1987 (2002)
E B Wilson (Jr), J C Cross and P C Deciu, Molecular Vibrations (NY: Mc Graw Hill) (1955)
S P Sinha and C L Chatterjee Indian J. Pure & Appl. Phys, 14 419 (1976)
R K Goel, S D Sharma and S N Sharma Indian J. Pure. & Appl. Phys. 17 55 (1979)
A N Pathak and B K Sinha Indian J. Pure & Appl. Phys., 19 678 (1981)
R K Goel, S K Sharma and S N Sharma Indian J. Pure & Appl. Phys., 21, 61 (1983)
A Joshi, K Suryanarayana and M A Shashidhar Curr. Sci. 57 477 (1988)
R Rao, S K Rao and M A Shashidhar Indian J. Phys. B64 66 (1990)
M K Aralakkanavar, A M Joshi, R Rao, K S Rao and M A Shashidhar Indian J. Phys. B64 152 (1990)
S Mohan, R Murugan and S Srinivasan Proc. Natl. Acad. Sci. Ind. (Phys Sci) 62 121 (1992)
K Ramu, C G Rao and C Santhamma Spectrochim. Acta. A49 223 (1993)
J A Faniran J. Crys. Mol. Struct. 5 191 (1975)
E B Wilson (Jr) J. Chem. Phys. 7 1047 (1939); ibid. 9 76 (1941)
A P Kumar and G R Rao Spectrochim. Acta. A53 2023 (1997)
J H Schachtschneider Technical Report No. 57–65, Shell Development, Emeryville (1996)
T Miyazawa J. Chem. Phys. 29 246 (1958)
D A Long and R B Gravenor Spectrochim. Acta 19 937, 951 961 (1963)
P M Rao and G R Rao, J. Raman Spectrosc. 20 529 (1989)
V Suryanarayana, A P Kumar, G R Rao and G C Pandey Spectrochim. Acta. A48 1481 (1992)
E B Wilson Phys. Rev. 45 706 (1934)
F R Dollish, W G Fateley and F F Bentley Characteristic Raman Frequencies of Organic Compounds, (New York: Wiley) (1974)
L J Bellamy The Infrared Spectra of Complex Molecules (New York: Wiley) (1975)
D Lin-Vien, N B Colthup, W G Fateley and J G Grasselli The Handbook of Infrared and Raman Characteristics frequencies of Organic Molecules (San Diego, California: Academic Press Inc), (1991)
L Deady, A R Katritzky, R A Shanks and R A Topsom Spectrochim. Acta. A29 115 (1973)
T Saito, M Yamakaw and M Takasuka J. Mol. Spectrosc. 90 359 (1981)
V K Rastogi, M A Palafox, S Singhal, S P Ojha and W Kiefer Int. J. Quantum Chem. 107 1099 (2007)
V Suryanarayana and G R Rao Vib. Spectrosc. 8 343 (1995)
K S Pitzer and W D Cwinn J. Chem. Phys. 10 428 (1942)
G Herzberg Molecular Spectra and Molecular Structure I: Infrared and Raman Spectra of Polyatomic Molecules (Princeton: Van Nostrand Reinhold Co.), (1945)
K H Hellwege and A M Hellwege (Eds) Landolt Bornstein Numerical Data for Free Molecules (Atomic and Molecular Physics), Vol 7 (1976) and supplement to Volume II/7, Vol 15 (1987) (Berlin: Springer Verlag)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Rastogi, V.K., Singhal, S., Palafox, M.A. et al. Vibrational spectra, normal coordinate analysis and thermodynamics of 2, 5-difluorobenzonitrile. Indian J Phys 84, 151–165 (2010). https://doi.org/10.1007/s12648-010-0034-y
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12648-010-0034-y